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/43-VP1-2f42bf89/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-2f42bf89/inputs/seq.fa: 1
curr_seq: _GAUCAUAAAGCGUAUCUGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUCAUAAAGCGUAUCUGGAU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.900
successfully initiated
initiating replica nr: 2
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-2f42bf89/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-2f42bf89/inputs/seq.fa: 1
curr_seq: _GAUCAUAAAGCGUAUCUGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUCAUAAAGCGUAUCUGGAU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.950
successfully initiated
initiating replica nr: 3
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-2f42bf89/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-2f42bf89/inputs/seq.fa: 1
curr_seq: _GAUCAUAAAGCGUAUCUGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUCAUAAAGCGUAUCUGGAU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.000
successfully initiated
initiating replica nr: 4
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-2f42bf89/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-2f42bf89/inputs/seq.fa: 1
curr_seq: _GAUCAUAAAGCGUAUCUGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUCAUAAAGCGUAUCUGGAU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.050
successfully initiated
initiating replica nr: 5
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-2f42bf89/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-2f42bf89/inputs/seq.fa: 1
curr_seq: _GAUCAUAAAGCGUAUCUGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUCAUAAAGCGUAUCUGGAU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.100
successfully initiated
initiating replica nr: 6
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-2f42bf89/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-2f42bf89/inputs/seq.fa: 1
curr_seq: _GAUCAUAAAGCGUAUCUGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUCAUAAAGCGUAUCUGGAU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.150
successfully initiated
initiating replica nr: 7
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-2f42bf89/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-2f42bf89/inputs/seq.fa: 1
curr_seq: _GAUCAUAAAGCGUAUCUGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUCAUAAAGCGUAUCUGGAU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.200
successfully initiated
initiating replica nr: 8
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-2f42bf89/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-2f42bf89/inputs/seq.fa: 1
curr_seq: _GAUCAUAAAGCGUAUCUGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUCAUAAAGCGUAUCUGGAU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.250
successfully initiated
initiating replica nr: 9
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-2f42bf89/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-2f42bf89/inputs/seq.fa: 1
curr_seq: _GAUCAUAAAGCGUAUCUGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUCAUAAAGCGUAUCUGGAU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.300
successfully initiated
initiating replica nr: 10
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-2f42bf89/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/43-VP1-2f42bf89/inputs/seq.fa: 1
curr_seq: _GAUCAUAAAGCGUAUCUGGAU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAUCAUAAAGCGUAUCUGGAU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.350
successfully initiated
.calculating
program compiled for parallel execution of replicas in Replica Exchange MC method
program can utilize maximum as many CPU cores as replicas, in this case: 10
==================================
temp. level: 1, replica: 1
=====================================
Write number: 1
Temperature: 0.900000
Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -122.276642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.276642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.276642 (E_RNA)
where:
Base-Base interactions energy: -57.065
where: short stacking energy: -57.065
Base-Backbone interact. energy: -0.044
local terms energy: -65.167946
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -13.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -117.366628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.366628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.366628 (E_RNA)
where:
Base-Base interactions energy: -47.664
where: short stacking energy: -47.664
Base-Backbone interact. energy: -0.035
local terms energy: -69.668228
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -10.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -118.449543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.449543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.449543 (E_RNA)
where:
Base-Base interactions energy: -58.346
where: short stacking energy: -35.199
Base-Backbone interact. energy: 0.205
local terms energy: -60.308475
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -7.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -116.007939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.007939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.007939 (E_RNA)
where:
Base-Base interactions energy: -61.838
where: short stacking energy: -33.116
Base-Backbone interact. energy: -0.558
local terms energy: -53.612046
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -3.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -121.033762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.033762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.033762 (E_RNA)
where:
Base-Base interactions energy: -77.532
where: short stacking energy: -34.042
Base-Backbone interact. energy: -0.098
local terms energy: -43.403241
where:
bonds (distance) C4'-P energy: -7.309
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -5.276
tors. eta vs tors. theta energy: -5.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -112.672405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.672405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.672405 (E_RNA)
where:
Base-Base interactions energy: -49.915
where: short stacking energy: -47.306
Base-Backbone interact. energy: -0.191
local terms energy: -62.566522
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -16.566
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -9.934
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: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -108.066999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.066999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.066999 (E_RNA)
where:
Base-Base interactions energy: -52.876
where: short stacking energy: -27.934
Base-Backbone interact. energy: -0.921
local terms energy: -54.269523
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -7.663
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -87.638981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.638981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.638981 (E_RNA)
where:
Base-Base interactions energy: -28.777
where: short stacking energy: -27.530
Base-Backbone interact. energy: -0.190
local terms energy: -58.672770
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -4.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -94.349862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.349862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.349862 (E_RNA)
where:
Base-Base interactions energy: -48.781
where: short stacking energy: -25.797
Base-Backbone interact. energy: -0.058
local terms energy: -45.511239
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -10.411
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -2.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -96.192033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.192033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.192033 (E_RNA)
where:
Base-Base interactions energy: -52.154
where: short stacking energy: -22.120
Base-Backbone interact. energy: -0.304
local terms energy: -43.734037
where:
bonds (distance) C4'-P energy: -7.350
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -2.070
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: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -142.031786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.031786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.031786 (E_RNA)
where:
Base-Base interactions energy: -75.851
where: short stacking energy: -49.845
Base-Backbone interact. energy: -0.005
local terms energy: -66.175577
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -6.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -139.012080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.012080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.012080 (E_RNA)
where:
Base-Base interactions energy: -78.487
where: short stacking energy: -34.616
Base-Backbone interact. energy: -0.034
local terms energy: -60.491838
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -10.661
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: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -110.387568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.387568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.387568 (E_RNA)
where:
Base-Base interactions energy: -52.320
where: short stacking energy: -41.693
Base-Backbone interact. energy: -0.179
local terms energy: -57.888716
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -10.277
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -6.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -148.668446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.668446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.668446 (E_RNA)
where:
Base-Base interactions energy: -88.528
where: short stacking energy: -44.192
Base-Backbone interact. energy: -0.069
local terms energy: -60.070670
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -137.262067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.262067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.262067 (E_RNA)
where:
Base-Base interactions energy: -80.555
where: short stacking energy: -45.752
Base-Backbone interact. energy: -0.544
local terms energy: -56.163387
where:
bonds (distance) C4'-P energy: -9.371
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -11.907
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: 3
Temperature: 1.150000
Total energy: -98.909554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.909554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.909554 (E_RNA)
where:
Base-Base interactions energy: -39.922
where: short stacking energy: -32.051
Base-Backbone interact. energy: -0.353
local terms energy: -58.634543
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -5.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -88.335535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.335535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.335535 (E_RNA)
where:
Base-Base interactions energy: -32.765
where: short stacking energy: -32.765
Base-Backbone interact. energy: -0.075
local terms energy: -55.495458
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -7.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -91.643259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.643259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.643259 (E_RNA)
where:
Base-Base interactions energy: -44.968
where: short stacking energy: -31.168
Base-Backbone interact. energy: -0.100
local terms energy: -46.574950
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -8.178
flat angles P-C4'-P energy: -3.224
tors. eta vs tors. theta energy: -7.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -77.444604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.444604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.444604 (E_RNA)
where:
Base-Base interactions energy: -23.984
where: short stacking energy: -23.984
Base-Backbone interact. energy: 1.248
local terms energy: -54.709138
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -3.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -81.977565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.977565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.977565 (E_RNA)
where:
Base-Base interactions energy: -40.553
where: short stacking energy: -13.308
Base-Backbone interact. energy: -0.574
local terms energy: -40.850465
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: 0.016
tors. eta vs tors. theta energy: 2.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -176.471756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.471756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.471756 (E_RNA)
where:
Base-Base interactions energy: -106.923
where: short stacking energy: -53.122
Base-Backbone interact. energy: -0.077
local terms energy: -69.471968
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -13.405
tors. eta vs tors. theta energy: -10.736
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: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -169.355711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.355711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.355711 (E_RNA)
where:
Base-Base interactions energy: -99.900
where: short stacking energy: -55.938
Base-Backbone interact. energy: -0.005
local terms energy: -69.450369
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -12.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -171.470506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.470506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.470506 (E_RNA)
where:
Base-Base interactions energy: -100.789
where: short stacking energy: -51.303
Base-Backbone interact. energy: -0.715
local terms energy: -69.966185
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -14.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -110.444725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.444725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.444725 (E_RNA)
where:
Base-Base interactions energy: -53.343
where: short stacking energy: -34.416
Base-Backbone interact. energy: -0.110
local terms energy: -56.991463
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -6.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -177.797941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.797941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.797941 (E_RNA)
where:
Base-Base interactions energy: -107.697
where: short stacking energy: -57.661
Base-Backbone interact. energy: -0.037
local terms energy: -70.063690
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -14.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -96.963713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.963713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.963713 (E_RNA)
where:
Base-Base interactions energy: -42.124
where: short stacking energy: -42.124
Base-Backbone interact. energy: -0.017
local terms energy: -54.823449
where:
bonds (distance) C4'-P energy: -9.284
bonds (distance) P-C4' energy: -13.942
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -9.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -113.113948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.113948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.113948 (E_RNA)
where:
Base-Base interactions energy: -59.162
where: short stacking energy: -30.839
Base-Backbone interact. energy: -0.016
local terms energy: -53.935710
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -12.245
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: -6.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -84.341524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.341524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.341524 (E_RNA)
where:
Base-Base interactions energy: -38.642
where: short stacking energy: -38.082
Base-Backbone interact. energy: -0.242
local terms energy: -45.457821
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -10.745
flat angles C4'-P-C4' energy: -8.359
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -5.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -75.224496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.224496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.224496 (E_RNA)
where:
Base-Base interactions energy: -23.630
where: short stacking energy: -19.155
Base-Backbone interact. energy: -0.165
local terms energy: -51.429421
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -6.074
tors. eta vs tors. theta energy: -0.824
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: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -88.227420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.227420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.227420 (E_RNA)
where:
Base-Base interactions energy: -40.826
where: short stacking energy: -27.179
Base-Backbone interact. energy: -0.106
local terms energy: -47.295397
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -14.351
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -5.930
tors. eta vs tors. theta energy: 0.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -177.653825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.653825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.653825 (E_RNA)
where:
Base-Base interactions energy: -110.852
where: short stacking energy: -50.802
Base-Backbone interact. energy: -0.313
local terms energy: -66.488526
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -10.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -190.225587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.225587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.225587 (E_RNA)
where:
Base-Base interactions energy: -122.022
where: short stacking energy: -60.487
Base-Backbone interact. energy: -0.072
local terms energy: -68.131948
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -15.035
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: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -185.990637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.990637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.990637 (E_RNA)
where:
Base-Base interactions energy: -122.115
where: short stacking energy: -60.276
Base-Backbone interact. energy: 0.175
local terms energy: -64.050220
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -6.005
tors. eta vs tors. theta energy: -13.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -183.599255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.599255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.599255 (E_RNA)
where:
Base-Base interactions energy: -121.557
where: short stacking energy: -63.030
Base-Backbone interact. energy: -0.112
local terms energy: -61.930247
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -7.267
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -18.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -101.398112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.398112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.398112 (E_RNA)
where:
Base-Base interactions energy: -41.033
where: short stacking energy: -29.018
Base-Backbone interact. energy: -0.035
local terms energy: -60.329979
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -7.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -96.361748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.361748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.361748 (E_RNA)
where:
Base-Base interactions energy: -31.111
where: short stacking energy: -31.111
Base-Backbone interact. energy: -0.049
local terms energy: -65.201396
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -12.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -89.802732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.802732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.802732 (E_RNA)
where:
Base-Base interactions energy: -36.534
where: short stacking energy: -36.534
Base-Backbone interact. energy: -0.068
local terms energy: -53.200687
where:
bonds (distance) C4'-P energy: -7.667
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -10.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -90.902906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.902906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.902906 (E_RNA)
where:
Base-Base interactions energy: -37.924
where: short stacking energy: -27.125
Base-Backbone interact. energy: -0.347
local terms energy: -52.631771
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -1.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -76.425567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.425567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.425567 (E_RNA)
where:
Base-Base interactions energy: -28.852
where: short stacking energy: -19.510
Base-Backbone interact. energy: 0.901
local terms energy: -48.474868
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: 2.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -85.914259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.914259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.914259 (E_RNA)
where:
Base-Base interactions energy: -34.240
where: short stacking energy: -32.515
Base-Backbone interact. energy: -0.492
local terms energy: -51.182052
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -6.988
tors. eta vs tors. theta energy: -4.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -192.222452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.222452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.222452 (E_RNA)
where:
Base-Base interactions energy: -116.016
where: short stacking energy: -61.311
Base-Backbone interact. energy: -0.031
local terms energy: -76.174875
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -17.244
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -15.166
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: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -181.999763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.999763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.999763 (E_RNA)
where:
Base-Base interactions energy: -120.813
where: short stacking energy: -48.062
Base-Backbone interact. energy: -0.753
local terms energy: -60.433408
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -7.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -200.229852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.229852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.229852 (E_RNA)
where:
Base-Base interactions energy: -127.637
where: short stacking energy: -69.189
Base-Backbone interact. energy: 1.011
local terms energy: -73.604034
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -19.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -186.504228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.504228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.504228 (E_RNA)
where:
Base-Base interactions energy: -115.899
where: short stacking energy: -59.836
Base-Backbone interact. energy: -0.023
local terms energy: -70.581788
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -12.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -100.688946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.688946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.688946 (E_RNA)
where:
Base-Base interactions energy: -37.610
where: short stacking energy: -32.650
Base-Backbone interact. energy: -2.050
local terms energy: -61.028780
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -7.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -93.040241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.040241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.040241 (E_RNA)
where:
Base-Base interactions energy: -35.608
where: short stacking energy: -30.256
Base-Backbone interact. energy: 0.066
local terms energy: -57.498156
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -6.809
tors. eta vs tors. theta energy: -7.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -100.183897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.183897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.183897 (E_RNA)
where:
Base-Base interactions energy: -47.235
where: short stacking energy: -26.745
Base-Backbone interact. energy: -0.665
local terms energy: -52.283575
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -9.514
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -4.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -81.655069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.655069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.655069 (E_RNA)
where:
Base-Base interactions energy: -26.726
where: short stacking energy: -22.668
Base-Backbone interact. energy: -0.341
local terms energy: -54.588367
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -2.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -75.560438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.560438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.560438 (E_RNA)
where:
Base-Base interactions energy: -29.578
where: short stacking energy: -29.578
Base-Backbone interact. energy: -0.258
local terms energy: -45.725134
where:
bonds (distance) C4'-P energy: -8.294
bonds (distance) P-C4' energy: -11.871
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -5.124
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: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -77.800321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.800321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.800321 (E_RNA)
where:
Base-Base interactions energy: -27.994
where: short stacking energy: -27.994
Base-Backbone interact. energy: -0.102
local terms energy: -49.703654
where:
bonds (distance) C4'-P energy: -8.866
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -2.826
tors. eta vs tors. theta energy: -7.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -208.493059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.493059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.493059 (E_RNA)
where:
Base-Base interactions energy: -139.088
where: short stacking energy: -64.266
Base-Backbone interact. energy: -0.003
local terms energy: -69.402080
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -15.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -208.762252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.762252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.762252 (E_RNA)
where:
Base-Base interactions energy: -134.200
where: short stacking energy: -70.789
Base-Backbone interact. energy: -0.001
local terms energy: -74.560812
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -9.893
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -19.980
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: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -169.035972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.035972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.035972 (E_RNA)
where:
Base-Base interactions energy: -115.611
where: short stacking energy: -39.065
Base-Backbone interact. energy: -0.152
local terms energy: -53.273392
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -7.448
flat angles P-C4'-P energy: -4.586
tors. eta vs tors. theta energy: -7.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -179.575442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.575442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.575442 (E_RNA)
where:
Base-Base interactions energy: -116.310
where: short stacking energy: -55.391
Base-Backbone interact. energy: -0.045
local terms energy: -63.220577
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -10.580
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -13.563
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: 7
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -101.283153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.283153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.283153 (E_RNA)
where:
Base-Base interactions energy: -41.764
where: short stacking energy: -41.764
Base-Backbone interact. energy: -0.010
local terms energy: -59.508917
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -11.115
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -9.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -107.517401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.517401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.517401 (E_RNA)
where:
Base-Base interactions energy: -49.588
where: short stacking energy: -43.214
Base-Backbone interact. energy: -0.558
local terms energy: -57.370617
where:
bonds (distance) C4'-P energy: -6.870
bonds (distance) P-C4' energy: -16.832
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -7.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -91.466197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.466197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.466197 (E_RNA)
where:
Base-Base interactions energy: -31.619
where: short stacking energy: -31.446
Base-Backbone interact. energy: -0.148
local terms energy: -59.698862
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -8.088
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: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -81.662999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.662999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.662999 (E_RNA)
where:
Base-Base interactions energy: -26.109
where: short stacking energy: -21.731
Base-Backbone interact. energy: -0.433
local terms energy: -55.121292
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -1.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -88.589879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.589879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.589879 (E_RNA)
where:
Base-Base interactions energy: -31.648
where: short stacking energy: -28.082
Base-Backbone interact. energy: 0.006
local terms energy: -56.947307
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -4.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -73.775690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.775690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.775690 (E_RNA)
where:
Base-Base interactions energy: -27.414
where: short stacking energy: -24.831
Base-Backbone interact. energy: -0.587
local terms energy: -45.774568
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -10.346
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: 0.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -220.089522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.089522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.089522 (E_RNA)
where:
Base-Base interactions energy: -148.589
where: short stacking energy: -64.462
Base-Backbone interact. energy: -0.009
local terms energy: -71.491646
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -18.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -197.656371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.656371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.656371 (E_RNA)
where:
Base-Base interactions energy: -127.042
where: short stacking energy: -64.147
Base-Backbone interact. energy: -0.002
local terms energy: -70.613153
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -20.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -192.386522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.386522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.386522 (E_RNA)
where:
Base-Base interactions energy: -120.948
where: short stacking energy: -66.199
Base-Backbone interact. energy: -0.001
local terms energy: -71.436900
where:
bonds (distance) C4'-P energy: -9.019
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -17.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -156.814090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.814090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.814090 (E_RNA)
where:
Base-Base interactions energy: -101.631
where: short stacking energy: -44.774
Base-Backbone interact. energy: -0.681
local terms energy: -54.501893
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -6.262
tors. eta vs tors. theta energy: -10.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -115.158106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.158106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.158106 (E_RNA)
where:
Base-Base interactions energy: -57.535
where: short stacking energy: -39.345
Base-Backbone interact. energy: -0.334
local terms energy: -57.288979
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -7.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -93.270607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.270607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.270607 (E_RNA)
where:
Base-Base interactions energy: -31.881
where: short stacking energy: -30.830
Base-Backbone interact. energy: -0.108
local terms energy: -61.281404
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -5.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -91.485318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.485318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.485318 (E_RNA)
where:
Base-Base interactions energy: -34.345
where: short stacking energy: -34.345
Base-Backbone interact. energy: -0.231
local terms energy: -56.909287
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -10.528
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -10.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -95.640575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.640575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.640575 (E_RNA)
where:
Base-Base interactions energy: -42.002
where: short stacking energy: -23.371
Base-Backbone interact. energy: -0.087
local terms energy: -53.551260
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -10.780
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: 1.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -80.889103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.889103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.889103 (E_RNA)
where:
Base-Base interactions energy: -30.554
where: short stacking energy: -28.338
Base-Backbone interact. energy: -0.044
local terms energy: -50.291232
where:
bonds (distance) C4'-P energy: -6.709
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -6.038
tors. eta vs tors. theta energy: -7.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -73.783902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.783902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.783902 (E_RNA)
where:
Base-Base interactions energy: -26.245
where: short stacking energy: -25.792
Base-Backbone interact. energy: -0.412
local terms energy: -47.127329
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -4.642
tors. eta vs tors. theta energy: -0.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -218.756679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.756679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.756679 (E_RNA)
where:
Base-Base interactions energy: -143.478
where: short stacking energy: -68.944
Base-Backbone interact. energy: -0.001
local terms energy: -75.276885
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -18.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -193.667607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.667607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.667607 (E_RNA)
where:
Base-Base interactions energy: -120.196
where: short stacking energy: -60.070
Base-Backbone interact. energy: -0.079
local terms energy: -73.392874
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -16.500
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: 9
Temperature: 1.000000
Total energy: -196.228140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.228140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.228140 (E_RNA)
where:
Base-Base interactions energy: -122.517
where: short stacking energy: -68.683
Base-Backbone interact. energy: -0.000
local terms energy: -73.710985
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -22.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -135.069586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.069586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.069586 (E_RNA)
where:
Base-Base interactions energy: -85.679
where: short stacking energy: -39.160
Base-Backbone interact. energy: -0.209
local terms energy: -49.181755
where:
bonds (distance) C4'-P energy: -9.164
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -5.817
tors. eta vs tors. theta energy: -7.040
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: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -114.955794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.955794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.955794 (E_RNA)
where:
Base-Base interactions energy: -57.669
where: short stacking energy: -40.244
Base-Backbone interact. energy: -0.197
local terms energy: -57.090166
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: -8.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -101.602809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.602809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.602809 (E_RNA)
where:
Base-Base interactions energy: -38.764
where: short stacking energy: -38.764
Base-Backbone interact. energy: -0.007
local terms energy: -62.831943
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -8.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -86.850108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.850108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.850108 (E_RNA)
where:
Base-Base interactions energy: -36.419
where: short stacking energy: -35.238
Base-Backbone interact. energy: 0.290
local terms energy: -50.720966
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -11.805
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -1.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -87.636131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.636131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.636131 (E_RNA)
where:
Base-Base interactions energy: -42.533
where: short stacking energy: -26.451
Base-Backbone interact. energy: -0.138
local terms energy: -44.965036
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -11.396
flat angles C4'-P-C4' energy: -9.863
flat angles P-C4'-P energy: -5.376
tors. eta vs tors. theta energy: -3.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -83.579852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.579852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.579852 (E_RNA)
where:
Base-Base interactions energy: -33.551
where: short stacking energy: -30.306
Base-Backbone interact. energy: 0.902
local terms energy: -50.931244
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -6.317
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -6.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -73.569659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.569659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.569659 (E_RNA)
where:
Base-Base interactions energy: -19.979
where: short stacking energy: -19.979
Base-Backbone interact. energy: -0.089
local terms energy: -53.501787
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: 3.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -204.622834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.622834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.622834 (E_RNA)
where:
Base-Base interactions energy: -131.466
where: short stacking energy: -70.275
Base-Backbone interact. energy: -0.008
local terms energy: -73.148819
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -18.031
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: 5
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -217.619573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.619573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.619573 (E_RNA)
where:
Base-Base interactions energy: -141.724
where: short stacking energy: -64.108
Base-Backbone interact. energy: -0.022
local terms energy: -75.873822
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -18.970
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -16.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -199.906551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.906551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.906551 (E_RNA)
where:
Base-Base interactions energy: -125.086
where: short stacking energy: -61.714
Base-Backbone interact. energy: 1.521
local terms energy: -76.341997
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -18.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -147.431042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.431042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.431042 (E_RNA)
where:
Base-Base interactions energy: -89.223
where: short stacking energy: -55.836
Base-Backbone interact. energy: -0.113
local terms energy: -58.094576
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -8.587
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -13.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -95.991668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.991668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.991668 (E_RNA)
where:
Base-Base interactions energy: -46.062
where: short stacking energy: -32.919
Base-Backbone interact. energy: -0.391
local terms energy: -49.538508
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -3.013
tors. eta vs tors. theta energy: -4.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -95.495073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.495073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.495073 (E_RNA)
where:
Base-Base interactions energy: -37.943
where: short stacking energy: -37.943
Base-Backbone interact. energy: 0.432
local terms energy: -57.983967
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -6.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -90.594949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.594949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.594949 (E_RNA)
where:
Base-Base interactions energy: -48.484
where: short stacking energy: -27.673
Base-Backbone interact. energy: -0.092
local terms energy: -42.018986
where:
bonds (distance) C4'-P energy: -8.435
bonds (distance) P-C4' energy: -11.950
flat angles C4'-P-C4' energy: -7.813
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -3.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -85.439712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.439712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.439712 (E_RNA)
where:
Base-Base interactions energy: -38.737
where: short stacking energy: -31.359
Base-Backbone interact. energy: 0.611
local terms energy: -47.313639
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -9.392
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -6.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -105.024008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.024008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.024008 (E_RNA)
where:
Base-Base interactions energy: -39.737
where: short stacking energy: -35.395
Base-Backbone interact. energy: -0.681
local terms energy: -64.605594
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -6.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -72.273247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.273247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.273247 (E_RNA)
where:
Base-Base interactions energy: -28.164
where: short stacking energy: -18.204
Base-Backbone interact. energy: 0.967
local terms energy: -45.076281
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -4.880
tors. eta vs tors. theta energy: 4.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -197.024543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.024543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.024543 (E_RNA)
where:
Base-Base interactions energy: -122.702
where: short stacking energy: -61.873
Base-Backbone interact. energy: -0.003
local terms energy: -74.319617
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -14.379
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -15.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -216.666082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.666082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.666082 (E_RNA)
where:
Base-Base interactions energy: -135.189
where: short stacking energy: -64.452
Base-Backbone interact. energy: -0.809
local terms energy: -80.667481
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -19.124
flat angles C4'-P-C4' energy: -18.530
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -17.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -201.414034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.414034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.414034 (E_RNA)
where:
Base-Base interactions energy: -122.215
where: short stacking energy: -74.815
Base-Backbone interact. energy: -0.005
local terms energy: -79.193644
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -20.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -112.285670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.285670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.285670 (E_RNA)
where:
Base-Base interactions energy: -52.037
where: short stacking energy: -38.489
Base-Backbone interact. energy: -0.012
local terms energy: -60.237065
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -8.818
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: 3
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -107.889081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.889081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.889081 (E_RNA)
where:
Base-Base interactions energy: -54.999
where: short stacking energy: -43.878
Base-Backbone interact. energy: -0.277
local terms energy: -52.613856
where:
bonds (distance) C4'-P energy: -9.412
bonds (distance) P-C4' energy: -10.979
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -4.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -98.031708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.031708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.031708 (E_RNA)
where:
Base-Base interactions energy: -37.718
where: short stacking energy: -29.698
Base-Backbone interact. energy: -0.466
local terms energy: -59.847046
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -7.805
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: 8
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -91.726903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.726903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.726903 (E_RNA)
where:
Base-Base interactions energy: -42.624
where: short stacking energy: -42.624
Base-Backbone interact. energy: -0.070
local terms energy: -49.032533
where:
bonds (distance) C4'-P energy: -8.684
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -10.174
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -9.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -84.732173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.732173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.732173 (E_RNA)
where:
Base-Base interactions energy: -35.827
where: short stacking energy: -31.451
Base-Backbone interact. energy: -0.109
local terms energy: -48.796318
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -3.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -74.723882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.723882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.723882 (E_RNA)
where:
Base-Base interactions energy: -22.162
where: short stacking energy: -22.162
Base-Backbone interact. energy: 0.176
local terms energy: -52.738056
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -8.083
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -2.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -88.883034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.883034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.883034 (E_RNA)
where:
Base-Base interactions energy: -47.101
where: short stacking energy: -18.546
Base-Backbone interact. energy: 0.824
local terms energy: -42.606515
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -7.759
flat angles P-C4'-P energy: -6.929
tors. eta vs tors. theta energy: -2.070
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: 1, replica: 5
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -217.992868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.992868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.992868 (E_RNA)
where:
Base-Base interactions energy: -138.906
where: short stacking energy: -67.065
Base-Backbone interact. energy: -0.025
local terms energy: -79.062000
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -19.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -201.256039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.256039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.256039 (E_RNA)
where:
Base-Base interactions energy: -126.998
where: short stacking energy: -64.505
Base-Backbone interact. energy: -0.088
local terms energy: -74.169895
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -17.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -203.178333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.178333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.178333 (E_RNA)
where:
Base-Base interactions energy: -128.897
where: short stacking energy: -69.887
Base-Backbone interact. energy: -0.025
local terms energy: -74.256881
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -19.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -108.874367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.874367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.874367 (E_RNA)
where:
Base-Base interactions energy: -56.687
where: short stacking energy: -45.974
Base-Backbone interact. energy: -0.033
local terms energy: -52.154609
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -10.340
flat angles P-C4'-P energy: -5.563
tors. eta vs tors. theta energy: -6.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -97.266287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.266287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.266287 (E_RNA)
where:
Base-Base interactions energy: -51.031
where: short stacking energy: -38.923
Base-Backbone interact. energy: 0.602
local terms energy: -46.837500
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -6.353
tors. eta vs tors. theta energy: -0.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -122.847864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.847864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.847864 (E_RNA)
where:
Base-Base interactions energy: -65.659
where: short stacking energy: -39.004
Base-Backbone interact. energy: 0.200
local terms energy: -57.389832
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -2.408
tors. eta vs tors. theta energy: -12.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -91.704715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.704715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.704715 (E_RNA)
where:
Base-Base interactions energy: -30.032
where: short stacking energy: -30.032
Base-Backbone interact. energy: -0.004
local terms energy: -61.669184
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -9.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -84.800324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.800324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.800324 (E_RNA)
where:
Base-Base interactions energy: -28.015
where: short stacking energy: -28.015
Base-Backbone interact. energy: -0.054
local terms energy: -56.731481
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -7.947
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: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -84.783276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.783276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.783276 (E_RNA)
where:
Base-Base interactions energy: -32.945
where: short stacking energy: -32.945
Base-Backbone interact. energy: 2.376
local terms energy: -54.214179
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -12.012
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -6.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -89.302090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.302090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.302090 (E_RNA)
where:
Base-Base interactions energy: -34.584
where: short stacking energy: -30.284
Base-Backbone interact. energy: -0.116
local terms energy: -54.602033
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -11.003
flat angles P-C4'-P energy: -5.635
tors. eta vs tors. theta energy: -8.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -220.394842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.394842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.394842 (E_RNA)
where:
Base-Base interactions energy: -146.946
where: short stacking energy: -66.988
Base-Backbone interact. energy: -0.002
local terms energy: -73.447719
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -20.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -206.501220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.501220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.501220 (E_RNA)
where:
Base-Base interactions energy: -127.293
where: short stacking energy: -70.204
Base-Backbone interact. energy: -0.003
local terms energy: -79.205046
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -20.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -193.360099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.360099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.360099 (E_RNA)
where:
Base-Base interactions energy: -124.882
where: short stacking energy: -63.477
Base-Backbone interact. energy: -0.122
local terms energy: -68.356024
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -17.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -127.524680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.524680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.524680 (E_RNA)
where:
Base-Base interactions energy: -76.205
where: short stacking energy: -38.338
Base-Backbone interact. energy: 0.281
local terms energy: -51.600028
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -5.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -112.487163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.487163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.487163 (E_RNA)
where:
Base-Base interactions energy: -55.467
where: short stacking energy: -33.866
Base-Backbone interact. energy: -0.284
local terms energy: -56.735883
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -8.958
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: 6, replica: 10
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -93.993994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.993994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.993994 (E_RNA)
where:
Base-Base interactions energy: -41.832
where: short stacking energy: -26.972
Base-Backbone interact. energy: -0.270
local terms energy: -51.891819
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -10.706
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -97.958585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.958585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.958585 (E_RNA)
where:
Base-Base interactions energy: -53.264
where: short stacking energy: -36.260
Base-Backbone interact. energy: -0.369
local terms energy: -44.324844
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -10.232
flat angles C4'-P-C4' energy: -10.177
flat angles P-C4'-P energy: -3.625
tors. eta vs tors. theta energy: -6.519
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: 8, replica: 9
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -82.815429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.815429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.815429 (E_RNA)
where:
Base-Base interactions energy: -31.361
where: short stacking energy: -26.332
Base-Backbone interact. energy: -0.246
local terms energy: -51.208354
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -10.995
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: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -83.600809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.600809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.600809 (E_RNA)
where:
Base-Base interactions energy: -35.166
where: short stacking energy: -29.438
Base-Backbone interact. energy: 2.227
local terms energy: -50.661870
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -10.447
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -5.761
tors. eta vs tors. theta energy: -5.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -75.293737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.293737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.293737 (E_RNA)
where:
Base-Base interactions energy: -26.611
where: short stacking energy: -26.611
Base-Backbone interact. energy: -0.030
local terms energy: -48.652894
where:
bonds (distance) C4'-P energy: -7.277
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -208.601644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.601644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.601644 (E_RNA)
where:
Base-Base interactions energy: -136.235
where: short stacking energy: -76.382
Base-Backbone interact. energy: 0.005
local terms energy: -72.372323
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -20.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -220.940080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.940080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.940080 (E_RNA)
where:
Base-Base interactions energy: -145.536
where: short stacking energy: -72.605
Base-Backbone interact. energy: -0.047
local terms energy: -75.356271
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -20.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -174.566026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.566026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.566026 (E_RNA)
where:
Base-Base interactions energy: -105.768
where: short stacking energy: -53.560
Base-Backbone interact. energy: -0.187
local terms energy: -68.611098
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -13.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -127.986807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.986807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.986807 (E_RNA)
where:
Base-Base interactions energy: -67.070
where: short stacking energy: -31.923
Base-Backbone interact. energy: -0.156
local terms energy: -60.760521
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -3.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -120.527713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.527713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.527713 (E_RNA)
where:
Base-Base interactions energy: -66.324
where: short stacking energy: -35.441
Base-Backbone interact. energy: -0.339
local terms energy: -53.864875
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -12.615
flat angles C4'-P-C4' energy: -9.417
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -11.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -101.965562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.965562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.965562 (E_RNA)
where:
Base-Base interactions energy: -55.480
where: short stacking energy: -34.260
Base-Backbone interact. energy: 0.672
local terms energy: -47.157675
where:
bonds (distance) C4'-P energy: -7.951
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -4.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -90.512270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.512270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.512270 (E_RNA)
where:
Base-Base interactions energy: -46.478
where: short stacking energy: -33.277
Base-Backbone interact. energy: -0.401
local terms energy: -43.633190
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -11.370
flat angles P-C4'-P energy: -1.936
tors. eta vs tors. theta energy: -4.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -86.425829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.425829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.425829 (E_RNA)
where:
Base-Base interactions energy: -32.419
where: short stacking energy: -32.419
Base-Backbone interact. energy: -0.468
local terms energy: -53.537961
where:
bonds (distance) C4'-P energy: -10.469
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -2.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -84.297045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.297045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.297045 (E_RNA)
where:
Base-Base interactions energy: -31.971
where: short stacking energy: -30.004
Base-Backbone interact. energy: -0.208
local terms energy: -52.117548
where:
bonds (distance) C4'-P energy: -12.196
bonds (distance) P-C4' energy: -8.612
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -9.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -71.720807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.720807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.720807 (E_RNA)
where:
Base-Base interactions energy: -31.137
where: short stacking energy: -21.443
Base-Backbone interact. energy: -0.460
local terms energy: -40.123606
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -6.893
flat angles P-C4'-P energy: -4.352
tors. eta vs tors. theta energy: -3.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -209.228970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.228970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.228970 (E_RNA)
where:
Base-Base interactions energy: -131.738
where: short stacking energy: -69.281
Base-Backbone interact. energy: 0.008
local terms energy: -77.499386
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -20.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -216.742374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.742374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.742374 (E_RNA)
where:
Base-Base interactions energy: -143.395
where: short stacking energy: -67.965
Base-Backbone interact. energy: -0.058
local terms energy: -73.288989
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -16.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -196.446079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.446079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.446079 (E_RNA)
where:
Base-Base interactions energy: -123.688
where: short stacking energy: -67.925
Base-Backbone interact. energy: -0.007
local terms energy: -72.751366
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: -17.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -131.016353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.016353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.016353 (E_RNA)
where:
Base-Base interactions energy: -64.275
where: short stacking energy: -41.106
Base-Backbone interact. energy: -0.067
local terms energy: -66.673722
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -9.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -106.061227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.061227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.061227 (E_RNA)
where:
Base-Base interactions energy: -49.669
where: short stacking energy: -44.757
Base-Backbone interact. energy: -0.198
local terms energy: -56.194219
where:
bonds (distance) C4'-P energy: -10.829
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -6.777
tors. eta vs tors. theta energy: -11.071
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: 3
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -123.303753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.303753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.303753 (E_RNA)
where:
Base-Base interactions energy: -77.481
where: short stacking energy: -33.443
Base-Backbone interact. energy: -0.163
local terms energy: -45.659428
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -2.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -94.276871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.276871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.276871 (E_RNA)
where:
Base-Base interactions energy: -52.697
where: short stacking energy: -28.719
Base-Backbone interact. energy: -0.278
local terms energy: -41.302329
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -11.456
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -8.869
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: 8, replica: 9
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -86.029668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.029668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.029668 (E_RNA)
where:
Base-Base interactions energy: -34.864
where: short stacking energy: -33.430
Base-Backbone interact. energy: -0.012
local terms energy: -51.154523
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -2.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -73.525081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.525081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.525081 (E_RNA)
where:
Base-Base interactions energy: -20.306
where: short stacking energy: -20.706
Base-Backbone interact. energy: -0.467
local terms energy: -52.752034
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -7.789
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -1.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -71.770668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.770668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.770668 (E_RNA)
where:
Base-Base interactions energy: -30.017
where: short stacking energy: -25.646
Base-Backbone interact. energy: -0.156
local terms energy: -41.597418
where:
bonds (distance) C4'-P energy: -9.421
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -9.126
flat angles P-C4'-P energy: -9.275
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: 1, replica: 5
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -218.572882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.572882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.572882 (E_RNA)
where:
Base-Base interactions energy: -150.234
where: short stacking energy: -65.251
Base-Backbone interact. energy: -0.029
local terms energy: -68.309994
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -5.952
tors. eta vs tors. theta energy: -16.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -203.274005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.274005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.274005 (E_RNA)
where:
Base-Base interactions energy: -130.144
where: short stacking energy: -71.858
Base-Backbone interact. energy: -0.280
local terms energy: -72.850684
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -20.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -197.353374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.353374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.353374 (E_RNA)
where:
Base-Base interactions energy: -129.509
where: short stacking energy: -56.492
Base-Backbone interact. energy: 0.109
local terms energy: -67.953377
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -4.222
tors. eta vs tors. theta energy: -19.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -128.099398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.099398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.099398 (E_RNA)
where:
Base-Base interactions energy: -71.670
where: short stacking energy: -44.054
Base-Backbone interact. energy: -0.044
local terms energy: -56.385521
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -10.120
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: 3
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -156.553065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.553065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.553065 (E_RNA)
where:
Base-Base interactions energy: -90.020
where: short stacking energy: -40.334
Base-Backbone interact. energy: -0.748
local terms energy: -65.784637
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: -11.485
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: 2
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -107.481296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.481296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.481296 (E_RNA)
where:
Base-Base interactions energy: -60.241
where: short stacking energy: -28.148
Base-Backbone interact. energy: -0.239
local terms energy: -47.001846
where:
bonds (distance) C4'-P energy: -15.343
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -6.210
tors. eta vs tors. theta energy: -1.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -100.416714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.416714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.416714 (E_RNA)
where:
Base-Base interactions energy: -50.403
where: short stacking energy: -42.691
Base-Backbone interact. energy: -0.108
local terms energy: -49.905447
where:
bonds (distance) C4'-P energy: -8.576
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -10.126
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -8.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -92.530780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.530780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.530780 (E_RNA)
where:
Base-Base interactions energy: -42.014
where: short stacking energy: -19.955
Base-Backbone interact. energy: -0.066
local terms energy: -50.451326
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -0.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -81.910911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.910911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.910911 (E_RNA)
where:
Base-Base interactions energy: -36.465
where: short stacking energy: -26.180
Base-Backbone interact. energy: 0.980
local terms energy: -46.424990
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -9.299
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -2.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -74.151277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.151277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.151277 (E_RNA)
where:
Base-Base interactions energy: -24.776
where: short stacking energy: -24.776
Base-Backbone interact. energy: -0.130
local terms energy: -49.245579
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -10.879
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -222.286148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.286148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.286148 (E_RNA)
where:
Base-Base interactions energy: -148.923
where: short stacking energy: -74.167
Base-Backbone interact. energy: -0.002
local terms energy: -73.361316
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -19.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -203.169264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.169264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.169264 (E_RNA)
where:
Base-Base interactions energy: -122.973
where: short stacking energy: -68.305
Base-Backbone interact. energy: -0.003
local terms energy: -80.193222
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -18.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -207.145010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.145010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.145010 (E_RNA)
where:
Base-Base interactions energy: -129.319
where: short stacking energy: -69.431
Base-Backbone interact. energy: -0.492
local terms energy: -77.334589
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -21.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -165.239332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.239332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.239332 (E_RNA)
where:
Base-Base interactions energy: -108.968
where: short stacking energy: -48.280
Base-Backbone interact. energy: 0.130
local terms energy: -56.401662
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -9.469
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -6.309
tors. eta vs tors. theta energy: -13.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -119.957492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.957492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.957492 (E_RNA)
where:
Base-Base interactions energy: -61.123
where: short stacking energy: -42.457
Base-Backbone interact. energy: -0.151
local terms energy: -58.683922
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -10.187
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -11.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -96.176023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.176023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.176023 (E_RNA)
where:
Base-Base interactions energy: -35.132
where: short stacking energy: -32.791
Base-Backbone interact. energy: -0.072
local terms energy: -60.972263
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -7.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -84.404883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.404883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.404883 (E_RNA)
where:
Base-Base interactions energy: -31.369
where: short stacking energy: -26.388
Base-Backbone interact. energy: -1.613
local terms energy: -51.423177
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -3.605
tors. eta vs tors. theta energy: -3.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -79.621626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.621626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.621626 (E_RNA)
where:
Base-Base interactions energy: -24.995
where: short stacking energy: -25.184
Base-Backbone interact. energy: -0.128
local terms energy: -54.498866
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -3.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -86.559327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.559327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.559327 (E_RNA)
where:
Base-Base interactions energy: -35.609
where: short stacking energy: -23.788
Base-Backbone interact. energy: 0.702
local terms energy: -51.651584
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: -4.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -88.943238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.943238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.943238 (E_RNA)
where:
Base-Base interactions energy: -43.299
where: short stacking energy: -34.441
Base-Backbone interact. energy: 0.571
local terms energy: -46.215425
where:
bonds (distance) C4'-P energy: -8.758
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -2.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -227.747182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.747182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.747182 (E_RNA)
where:
Base-Base interactions energy: -153.244
where: short stacking energy: -70.133
Base-Backbone interact. energy: -0.080
local terms energy: -74.422999
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -18.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -205.781895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.781895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.781895 (E_RNA)
where:
Base-Base interactions energy: -122.603
where: short stacking energy: -66.412
Base-Backbone interact. energy: -0.001
local terms energy: -83.177783
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -21.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -195.390817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.390817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.390817 (E_RNA)
where:
Base-Base interactions energy: -120.171
where: short stacking energy: -62.030
Base-Backbone interact. energy: -0.000
local terms energy: -75.219316
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -20.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -176.571243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.571243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.571243 (E_RNA)
where:
Base-Base interactions energy: -113.813
where: short stacking energy: -53.066
Base-Backbone interact. energy: -0.022
local terms energy: -62.736078
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -14.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -145.256107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.256107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.256107 (E_RNA)
where:
Base-Base interactions energy: -88.526
where: short stacking energy: -37.022
Base-Backbone interact. energy: -0.529
local terms energy: -56.201266
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -6.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -96.701397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.701397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.701397 (E_RNA)
where:
Base-Base interactions energy: -46.792
where: short stacking energy: -39.688
Base-Backbone interact. energy: -0.080
local terms energy: -49.829335
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -7.269
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -8.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -87.961496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.961496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.961496 (E_RNA)
where:
Base-Base interactions energy: -35.900
where: short stacking energy: -29.219
Base-Backbone interact. energy: -0.993
local terms energy: -51.067572
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -12.911
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -85.914434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.914434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.914434 (E_RNA)
where:
Base-Base interactions energy: -28.842
where: short stacking energy: -28.117
Base-Backbone interact. energy: -0.086
local terms energy: -56.987129
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -5.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -75.721333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.721333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.721333 (E_RNA)
where:
Base-Base interactions energy: -37.515
where: short stacking energy: -16.027
Base-Backbone interact. energy: -0.381
local terms energy: -37.825625
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -6.379
tors. eta vs tors. theta energy: 3.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -70.502167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.502167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.502167 (E_RNA)
where:
Base-Base interactions energy: -26.076
where: short stacking energy: -19.737
Base-Backbone interact. energy: -0.585
local terms energy: -43.840619
where:
bonds (distance) C4'-P energy: -9.677
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -3.948
tors. eta vs tors. theta energy: 1.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -221.638959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.638959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.638959 (E_RNA)
where:
Base-Base interactions energy: -152.157
where: short stacking energy: -64.581
Base-Backbone interact. energy: -0.041
local terms energy: -69.440950
where:
bonds (distance) C4'-P energy: -9.006
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -14.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -192.490044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.490044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.490044 (E_RNA)
where:
Base-Base interactions energy: -121.649
where: short stacking energy: -44.755
Base-Backbone interact. energy: -1.542
local terms energy: -69.299370
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -11.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -200.846768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.846768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.846768 (E_RNA)
where:
Base-Base interactions energy: -124.863
where: short stacking energy: -69.390
Base-Backbone interact. energy: -0.009
local terms energy: -75.974486
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -21.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -193.944740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.944740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.944740 (E_RNA)
where:
Base-Base interactions energy: -123.006
where: short stacking energy: -62.672
Base-Backbone interact. energy: -0.488
local terms energy: -70.450958
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -18.777
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: 6
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -169.588049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.588049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.588049 (E_RNA)
where:
Base-Base interactions energy: -109.867
where: short stacking energy: -44.913
Base-Backbone interact. energy: -0.247
local terms energy: -59.474037
where:
bonds (distance) C4'-P energy: -4.189
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -15.466
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: 19
Temperature: 1.150000
Total energy: -98.346009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.346009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.346009 (E_RNA)
where:
Base-Base interactions energy: -44.229
where: short stacking energy: -38.863
Base-Backbone interact. energy: -0.049
local terms energy: -54.068585
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -13.382
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -5.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -96.664417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.664417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.664417 (E_RNA)
where:
Base-Base interactions energy: -44.280
where: short stacking energy: -31.542
Base-Backbone interact. energy: -0.108
local terms energy: -52.276680
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -4.786
tors. eta vs tors. theta energy: -6.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -85.179383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.179383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.179383 (E_RNA)
where:
Base-Base interactions energy: -23.292
where: short stacking energy: -23.292
Base-Backbone interact. energy: -0.033
local terms energy: -61.853576
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -3.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -92.991621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.991621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.991621 (E_RNA)
where:
Base-Base interactions energy: -44.379
where: short stacking energy: -16.388
Base-Backbone interact. energy: -0.121
local terms energy: -48.491613
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -10.831
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -0.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -76.888642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.888642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.888642 (E_RNA)
where:
Base-Base interactions energy: -23.900
where: short stacking energy: -23.900
Base-Backbone interact. energy: -0.068
local terms energy: -52.919744
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -2.073
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: 5
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -220.674580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.674580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.674580 (E_RNA)
where:
Base-Base interactions energy: -151.679
where: short stacking energy: -65.495
Base-Backbone interact. energy: -0.712
local terms energy: -68.283469
where:
bonds (distance) C4'-P energy: -9.068
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -16.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -200.620881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.620881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.620881 (E_RNA)
where:
Base-Base interactions energy: -134.181
where: short stacking energy: -62.215
Base-Backbone interact. energy: -0.017
local terms energy: -66.423266
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -16.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -200.726379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.726379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.726379 (E_RNA)
where:
Base-Base interactions energy: -128.059
where: short stacking energy: -72.107
Base-Backbone interact. energy: -0.586
local terms energy: -72.081279
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -21.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -192.030130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.030130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.030130 (E_RNA)
where:
Base-Base interactions energy: -133.144
where: short stacking energy: -61.084
Base-Backbone interact. energy: -0.004
local terms energy: -58.882089
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -1.838
tors. eta vs tors. theta energy: -18.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -188.150486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.150486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.150486 (E_RNA)
where:
Base-Base interactions energy: -132.461
where: short stacking energy: -50.224
Base-Backbone interact. energy: -0.374
local terms energy: -55.315565
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -6.530
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -10.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -95.599993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.599993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.599993 (E_RNA)
where:
Base-Base interactions energy: -37.877
where: short stacking energy: -37.877
Base-Backbone interact. energy: -0.137
local terms energy: -57.586013
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -6.078
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: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -92.924088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.924088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.924088 (E_RNA)
where:
Base-Base interactions energy: -44.952
where: short stacking energy: -33.433
Base-Backbone interact. energy: 0.506
local terms energy: -48.477913
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -9.976
flat angles C4'-P-C4' energy: -11.026
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -5.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -80.238176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.238176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.238176 (E_RNA)
where:
Base-Base interactions energy: -25.601
where: short stacking energy: -25.601
Base-Backbone interact. energy: -0.152
local terms energy: -54.484926
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -6.397
tors. eta vs tors. theta energy: -4.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -75.527150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.527150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.527150 (E_RNA)
where:
Base-Base interactions energy: -30.168
where: short stacking energy: -30.168
Base-Backbone interact. energy: 0.895
local terms energy: -46.253874
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -3.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -86.972117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.972117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.972117 (E_RNA)
where:
Base-Base interactions energy: -32.209
where: short stacking energy: -31.989
Base-Backbone interact. energy: -0.070
local terms energy: -54.692575
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: -7.237
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: 5
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -219.413724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.413724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.413724 (E_RNA)
where:
Base-Base interactions energy: -145.334
where: short stacking energy: -70.548
Base-Backbone interact. energy: -0.004
local terms energy: -74.075439
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -19.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -201.848837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.848837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.848837 (E_RNA)
where:
Base-Base interactions energy: -125.363
where: short stacking energy: -62.814
Base-Backbone interact. energy: -0.002
local terms energy: -76.483892
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -17.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -199.967901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.967901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.967901 (E_RNA)
where:
Base-Base interactions energy: -128.311
where: short stacking energy: -66.090
Base-Backbone interact. energy: -0.006
local terms energy: -71.650941
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -18.403
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: 6
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -213.494097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.494097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.494097 (E_RNA)
where:
Base-Base interactions energy: -142.011
where: short stacking energy: -65.760
Base-Backbone interact. energy: -2.096
local terms energy: -69.386970
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -17.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -163.994669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.994669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.994669 (E_RNA)
where:
Base-Base interactions energy: -102.558
where: short stacking energy: -42.416
Base-Backbone interact. energy: -0.459
local terms energy: -60.977468
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -10.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -94.765736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.765736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.765736 (E_RNA)
where:
Base-Base interactions energy: -40.903
where: short stacking energy: -22.335
Base-Backbone interact. energy: -0.103
local terms energy: -53.759251
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -4.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -99.629318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.629318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.629318 (E_RNA)
where:
Base-Base interactions energy: -39.250
where: short stacking energy: -38.622
Base-Backbone interact. energy: -0.004
local terms energy: -60.375724
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -6.600
tors. eta vs tors. theta energy: -7.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -73.369903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.369903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.369903 (E_RNA)
where:
Base-Base interactions energy: -29.070
where: short stacking energy: -29.070
Base-Backbone interact. energy: -0.117
local terms energy: -44.183236
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: 2.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -94.292099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.292099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.292099 (E_RNA)
where:
Base-Base interactions energy: -41.688
where: short stacking energy: -32.586
Base-Backbone interact. energy: 0.138
local terms energy: -52.741989
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -16.915
flat angles C4'-P-C4' energy: -11.316
flat angles P-C4'-P energy: -6.806
tors. eta vs tors. theta energy: -4.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -79.229350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.229350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.229350 (E_RNA)
where:
Base-Base interactions energy: -39.089
where: short stacking energy: -28.735
Base-Backbone interact. energy: -0.182
local terms energy: -39.958561
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -10.917
flat angles C4'-P-C4' energy: -8.292
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -0.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -226.341937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.341937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.341937 (E_RNA)
where:
Base-Base interactions energy: -154.694
where: short stacking energy: -67.582
Base-Backbone interact. energy: -0.004
local terms energy: -71.643487
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -18.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -196.689950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.689950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.689950 (E_RNA)
where:
Base-Base interactions energy: -120.353
where: short stacking energy: -63.592
Base-Backbone interact. energy: 0.021
local terms energy: -76.358413
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -16.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -205.836020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.836020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.836020 (E_RNA)
where:
Base-Base interactions energy: -137.781
where: short stacking energy: -54.497
Base-Backbone interact. energy: 0.098
local terms energy: -68.152653
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -13.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -187.392751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.392751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.392751 (E_RNA)
where:
Base-Base interactions energy: -120.641
where: short stacking energy: -62.961
Base-Backbone interact. energy: 1.641
local terms energy: -68.392215
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -15.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -171.512386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.512386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.512386 (E_RNA)
where:
Base-Base interactions energy: -102.489
where: short stacking energy: -52.771
Base-Backbone interact. energy: -0.065
local terms energy: -68.958299
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -13.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -96.333085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.333085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.333085 (E_RNA)
where:
Base-Base interactions energy: -46.518
where: short stacking energy: -33.722
Base-Backbone interact. energy: -0.260
local terms energy: -49.555400
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -5.543
tors. eta vs tors. theta energy: 0.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -99.698904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.698904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.698904 (E_RNA)
where:
Base-Base interactions energy: -45.125
where: short stacking energy: -36.673
Base-Backbone interact. energy: -1.198
local terms energy: -53.376285
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -11.387
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -9.362
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: 9
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -82.054044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.054044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.054044 (E_RNA)
where:
Base-Base interactions energy: -28.411
where: short stacking energy: -25.974
Base-Backbone interact. energy: -0.248
local terms energy: -53.395411
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -4.691
tors. eta vs tors. theta energy: -7.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -91.274979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.274979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.274979 (E_RNA)
where:
Base-Base interactions energy: -31.116
where: short stacking energy: -31.090
Base-Backbone interact. energy: -0.026
local terms energy: -60.132590
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -9.303
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: 10, replica: 2
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -82.300852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.300852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.300852 (E_RNA)
where:
Base-Base interactions energy: -35.384
where: short stacking energy: -25.496
Base-Backbone interact. energy: -0.375
local terms energy: -46.541861
where:
bonds (distance) C4'-P energy: -9.359
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: 0.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -230.547087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.547087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.547087 (E_RNA)
where:
Base-Base interactions energy: -157.845
where: short stacking energy: -69.940
Base-Backbone interact. energy: 0.325
local terms energy: -73.027099
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -15.807
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: 2, replica: 6
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -208.671217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.671217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.671217 (E_RNA)
where:
Base-Base interactions energy: -137.346
where: short stacking energy: -63.225
Base-Backbone interact. energy: -0.298
local terms energy: -71.026401
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -11.812
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -17.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -193.753187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.753187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.753187 (E_RNA)
where:
Base-Base interactions energy: -125.902
where: short stacking energy: -65.268
Base-Backbone interact. energy: 1.513
local terms energy: -69.364755
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -18.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -198.065104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.065104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.065104 (E_RNA)
where:
Base-Base interactions energy: -135.121
where: short stacking energy: -65.042
Base-Backbone interact. energy: -0.003
local terms energy: -62.941262
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -13.095
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: 1
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -190.291228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.291228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.291228 (E_RNA)
where:
Base-Base interactions energy: -120.704
where: short stacking energy: -66.170
Base-Backbone interact. energy: 0.450
local terms energy: -70.037325
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -18.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -87.405890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.405890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.405890 (E_RNA)
where:
Base-Base interactions energy: -40.151
where: short stacking energy: -34.643
Base-Backbone interact. energy: -0.293
local terms energy: -46.962246
where:
bonds (distance) C4'-P energy: -5.211
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -4.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -80.567399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.567399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.567399 (E_RNA)
where:
Base-Base interactions energy: -35.622
where: short stacking energy: -22.385
Base-Backbone interact. energy: -0.664
local terms energy: -44.281437
where:
bonds (distance) C4'-P energy: -7.857
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -6.535
tors. eta vs tors. theta energy: 0.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -87.951464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.951464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.951464 (E_RNA)
where:
Base-Base interactions energy: -36.201
where: short stacking energy: -31.469
Base-Backbone interact. energy: -0.044
local terms energy: -51.706772
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -10.279
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -3.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -79.865769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.865769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.865769 (E_RNA)
where:
Base-Base interactions energy: -29.742
where: short stacking energy: -21.190
Base-Backbone interact. energy: -0.604
local terms energy: -49.519638
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -1.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -79.092531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.092531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.092531 (E_RNA)
where:
Base-Base interactions energy: -34.036
where: short stacking energy: -27.608
Base-Backbone interact. energy: -0.010
local terms energy: -45.046056
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -11.624
flat angles C4'-P-C4' energy: -8.176
flat angles P-C4'-P energy: -3.607
tors. eta vs tors. theta energy: -5.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -225.332471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.332471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.332471 (E_RNA)
where:
Base-Base interactions energy: -146.677
where: short stacking energy: -64.981
Base-Backbone interact. energy: -0.010
local terms energy: -78.645563
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -17.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -206.257921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.257921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.257921 (E_RNA)
where:
Base-Base interactions energy: -129.703
where: short stacking energy: -62.539
Base-Backbone interact. energy: -0.026
local terms energy: -76.528753
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -17.777
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -19.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -196.289964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.289964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.289964 (E_RNA)
where:
Base-Base interactions energy: -125.936
where: short stacking energy: -66.937
Base-Backbone interact. energy: -0.002
local terms energy: -70.351946
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -20.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -192.273722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.273722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.273722 (E_RNA)
where:
Base-Base interactions energy: -130.842
where: short stacking energy: -43.929
Base-Backbone interact. energy: -0.474
local terms energy: -60.958473
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -8.029
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -11.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -178.458476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.458476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.458476 (E_RNA)
where:
Base-Base interactions energy: -109.473
where: short stacking energy: -54.971
Base-Backbone interact. energy: -0.030
local terms energy: -68.955356
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -15.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -108.074839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.074839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.074839 (E_RNA)
where:
Base-Base interactions energy: -46.336
where: short stacking energy: -40.566
Base-Backbone interact. energy: -1.084
local terms energy: -60.655256
where:
bonds (distance) C4'-P energy: -9.549
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -12.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -88.348037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.348037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.348037 (E_RNA)
where:
Base-Base interactions energy: -40.032
where: short stacking energy: -40.032
Base-Backbone interact. energy: -0.015
local terms energy: -48.300487
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -9.055
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -4.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -90.692049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.692049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.692049 (E_RNA)
where:
Base-Base interactions energy: -33.705
where: short stacking energy: -33.565
Base-Backbone interact. energy: -0.059
local terms energy: -56.928355
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -8.816
flat angles P-C4'-P energy: -7.115
tors. eta vs tors. theta energy: -9.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -76.037717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.037717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.037717 (E_RNA)
where:
Base-Base interactions energy: -26.895
where: short stacking energy: -26.895
Base-Backbone interact. energy: 0.739
local terms energy: -49.881628
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: -4.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -75.664375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.664375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.664375 (E_RNA)
where:
Base-Base interactions energy: -29.390
where: short stacking energy: -24.913
Base-Backbone interact. energy: -0.147
local terms energy: -46.127525
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -9.578
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -228.028434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.028434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.028434 (E_RNA)
where:
Base-Base interactions energy: -151.471
where: short stacking energy: -68.829
Base-Backbone interact. energy: -0.003
local terms energy: -76.554266
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -17.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -209.419370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.419370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.419370 (E_RNA)
where:
Base-Base interactions energy: -131.224
where: short stacking energy: -54.309
Base-Backbone interact. energy: -0.009
local terms energy: -78.185494
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -20.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -185.259771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.259771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.259771 (E_RNA)
where:
Base-Base interactions energy: -113.124
where: short stacking energy: -60.771
Base-Backbone interact. energy: -0.168
local terms energy: -71.967538
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -15.605
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: 3
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -184.588668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.588668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.588668 (E_RNA)
where:
Base-Base interactions energy: -111.910
where: short stacking energy: -48.071
Base-Backbone interact. energy: -1.626
local terms energy: -71.052476
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -16.392
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: 5, replica: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -181.921044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.921044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.921044 (E_RNA)
where:
Base-Base interactions energy: -116.017
where: short stacking energy: -57.405
Base-Backbone interact. energy: -0.013
local terms energy: -65.890505
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -13.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -97.333310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.333310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.333310 (E_RNA)
where:
Base-Base interactions energy: -50.024
where: short stacking energy: -32.976
Base-Backbone interact. energy: 0.460
local terms energy: -47.769291
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -10.365
flat angles P-C4'-P energy: -5.427
tors. eta vs tors. theta energy: -3.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -90.005638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.005638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.005638 (E_RNA)
where:
Base-Base interactions energy: -33.307
where: short stacking energy: -28.133
Base-Backbone interact. energy: -0.162
local terms energy: -56.536438
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -3.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -76.613971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.613971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.613971 (E_RNA)
where:
Base-Base interactions energy: -22.420
where: short stacking energy: -22.420
Base-Backbone interact. energy: -0.130
local terms energy: -54.064244
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -10.361
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -1.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -81.427027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.427027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.427027 (E_RNA)
where:
Base-Base interactions energy: -22.213
where: short stacking energy: -21.715
Base-Backbone interact. energy: -0.932
local terms energy: -58.282514
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -5.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -86.605590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.605590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.605590 (E_RNA)
where:
Base-Base interactions energy: -33.791
where: short stacking energy: -28.763
Base-Backbone interact. energy: -0.021
local terms energy: -52.793893
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -10.943
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -4.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -232.559939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.559939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.559939 (E_RNA)
where:
Base-Base interactions energy: -152.866
where: short stacking energy: -68.154
Base-Backbone interact. energy: -0.002
local terms energy: -79.691886
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -18.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -204.599038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.599038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.599038 (E_RNA)
where:
Base-Base interactions energy: -136.533
where: short stacking energy: -61.173
Base-Backbone interact. energy: -0.752
local terms energy: -67.314385
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -14.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -207.665976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.665976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.665976 (E_RNA)
where:
Base-Base interactions energy: -132.533
where: short stacking energy: -58.457
Base-Backbone interact. energy: -0.084
local terms energy: -75.049193
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -175.205428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.205428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.205428 (E_RNA)
where:
Base-Base interactions energy: -97.206
where: short stacking energy: -55.672
Base-Backbone interact. energy: -0.834
local terms energy: -77.165657
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -17.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -180.324831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.324831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.324831 (E_RNA)
where:
Base-Base interactions energy: -111.344
where: short stacking energy: -52.205
Base-Backbone interact. energy: -0.033
local terms energy: -68.947756
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -13.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -103.893567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.893567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.893567 (E_RNA)
where:
Base-Base interactions energy: -54.258
where: short stacking energy: -43.157
Base-Backbone interact. energy: -0.381
local terms energy: -49.254101
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: -6.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -88.842469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.842469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.842469 (E_RNA)
where:
Base-Base interactions energy: -27.716
where: short stacking energy: -27.596
Base-Backbone interact. energy: -0.166
local terms energy: -60.960377
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -7.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -87.160291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.160291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.160291 (E_RNA)
where:
Base-Base interactions energy: -34.467
where: short stacking energy: -27.374
Base-Backbone interact. energy: -0.399
local terms energy: -52.294389
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -10.078
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: 9, replica: 7
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -78.748123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.748123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.748123 (E_RNA)
where:
Base-Base interactions energy: -35.112
where: short stacking energy: -29.136
Base-Backbone interact. energy: -0.034
local terms energy: -43.601538
where:
bonds (distance) C4'-P energy: -9.115
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -2.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -80.478283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.478283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.478283 (E_RNA)
where:
Base-Base interactions energy: -36.380
where: short stacking energy: -14.763
Base-Backbone interact. energy: -0.288
local terms energy: -43.810524
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -10.437
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: 0.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -233.234976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.234976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.234976 (E_RNA)
where:
Base-Base interactions energy: -164.727
where: short stacking energy: -73.014
Base-Backbone interact. energy: -0.004
local terms energy: -68.503933
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -16.711
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: 6
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -205.324460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.324460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.324460 (E_RNA)
where:
Base-Base interactions energy: -139.494
where: short stacking energy: -57.696
Base-Backbone interact. energy: 0.133
local terms energy: -65.963097
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -10.910
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -16.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -220.666589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.666589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.666589 (E_RNA)
where:
Base-Base interactions energy: -146.690
where: short stacking energy: -65.290
Base-Backbone interact. energy: -0.640
local terms energy: -73.336061
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -16.133
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -18.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -175.150782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.150782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.150782 (E_RNA)
where:
Base-Base interactions energy: -107.208
where: short stacking energy: -52.913
Base-Backbone interact. energy: -0.003
local terms energy: -67.940294
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -11.663
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -14.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -170.699088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.699088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.699088 (E_RNA)
where:
Base-Base interactions energy: -108.479
where: short stacking energy: -55.969
Base-Backbone interact. energy: -0.277
local terms energy: -61.942506
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -13.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -99.713289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.713289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.713289 (E_RNA)
where:
Base-Base interactions energy: -52.795
where: short stacking energy: -41.064
Base-Backbone interact. energy: 0.592
local terms energy: -47.510671
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -10.123
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -2.626
tors. eta vs tors. theta energy: -6.969
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: 7, replica: 9
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -92.650232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.650232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.650232 (E_RNA)
where:
Base-Base interactions energy: -36.730
where: short stacking energy: -25.061
Base-Backbone interact. energy: -0.119
local terms energy: -55.800575
where:
bonds (distance) C4'-P energy: -9.914
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -5.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -88.698431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.698431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.698431 (E_RNA)
where:
Base-Base interactions energy: -39.896
where: short stacking energy: -21.421
Base-Backbone interact. energy: -1.034
local terms energy: -47.768437
where:
bonds (distance) C4'-P energy: -9.416
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -6.363
tors. eta vs tors. theta energy: -3.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -82.951095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.951095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.951095 (E_RNA)
where:
Base-Base interactions energy: -30.386
where: short stacking energy: -29.671
Base-Backbone interact. energy: -0.125
local terms energy: -52.439756
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -4.830
tors. eta vs tors. theta energy: -2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -84.902095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.902095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.902095 (E_RNA)
where:
Base-Base interactions energy: -38.176
where: short stacking energy: -33.646
Base-Backbone interact. energy: -0.273
local terms energy: -46.453153
where:
bonds (distance) C4'-P energy: -9.098
bonds (distance) P-C4' energy: -11.984
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -3.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -224.819747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.819747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.819747 (E_RNA)
where:
Base-Base interactions energy: -143.467
where: short stacking energy: -63.264
Base-Backbone interact. energy: -0.289
local terms energy: -81.064101
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -20.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -211.938347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.938347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.938347 (E_RNA)
where:
Base-Base interactions energy: -137.115
where: short stacking energy: -63.748
Base-Backbone interact. energy: 2.486
local terms energy: -77.309968
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -16.734
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: 28
Temperature: 1.000000
Total energy: -221.176948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.176948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.176948 (E_RNA)
where:
Base-Base interactions energy: -152.302
where: short stacking energy: -66.317
Base-Backbone interact. energy: -0.114
local terms energy: -68.760771
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -20.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -175.667419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.667419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.667419 (E_RNA)
where:
Base-Base interactions energy: -116.952
where: short stacking energy: -58.929
Base-Backbone interact. energy: -0.040
local terms energy: -58.675413
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -11.961
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: 5, replica: 1
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -179.866990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.866990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.866990 (E_RNA)
where:
Base-Base interactions energy: -111.605
where: short stacking energy: -51.079
Base-Backbone interact. energy: -0.015
local terms energy: -68.247269
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -19.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -109.015919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.015919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.015919 (E_RNA)
where:
Base-Base interactions energy: -50.403
where: short stacking energy: -20.382
Base-Backbone interact. energy: -1.199
local terms energy: -57.414162
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: 2.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -88.630992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.630992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.630992 (E_RNA)
where:
Base-Base interactions energy: -34.041
where: short stacking energy: -34.041
Base-Backbone interact. energy: -0.130
local terms energy: -54.460624
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -2.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -79.389508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.389508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.389508 (E_RNA)
where:
Base-Base interactions energy: -31.039
where: short stacking energy: -27.373
Base-Backbone interact. energy: -0.277
local terms energy: -48.073343
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: 1.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -98.804830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.804830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.804830 (E_RNA)
where:
Base-Base interactions energy: -39.006
where: short stacking energy: -26.030
Base-Backbone interact. energy: -0.027
local terms energy: -59.771406
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -5.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -75.409790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.409790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.409790 (E_RNA)
where:
Base-Base interactions energy: -29.101
where: short stacking energy: -25.268
Base-Backbone interact. energy: -0.244
local terms energy: -46.064689
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: 0.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -224.623324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.623324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.623324 (E_RNA)
where:
Base-Base interactions energy: -145.768
where: short stacking energy: -65.443
Base-Backbone interact. energy: -0.001
local terms energy: -78.854186
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -19.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -207.991831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.991831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.991831 (E_RNA)
where:
Base-Base interactions energy: -138.093
where: short stacking energy: -58.936
Base-Backbone interact. energy: -0.031
local terms energy: -69.868083
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -15.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -204.676570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.676570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.676570 (E_RNA)
where:
Base-Base interactions energy: -133.876
where: short stacking energy: -66.355
Base-Backbone interact. energy: -0.017
local terms energy: -70.782973
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -11.457
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -15.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -169.688261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.688261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.688261 (E_RNA)
where:
Base-Base interactions energy: -109.138
where: short stacking energy: -53.070
Base-Backbone interact. energy: -0.116
local terms energy: -60.433876
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -3.558
tors. eta vs tors. theta energy: -15.658
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: 4
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -153.319438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.319438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.319438 (E_RNA)
where:
Base-Base interactions energy: -89.324
where: short stacking energy: -50.671
Base-Backbone interact. energy: 1.295
local terms energy: -65.290410
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -13.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -96.491014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.491014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.491014 (E_RNA)
where:
Base-Base interactions energy: -49.738
where: short stacking energy: -30.106
Base-Backbone interact. energy: -0.044
local terms energy: -46.708958
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -13.925
flat angles C4'-P-C4' energy: -4.428
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -1.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -93.197499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.197499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.197499 (E_RNA)
where:
Base-Base interactions energy: -43.048
where: short stacking energy: -28.614
Base-Backbone interact. energy: -0.185
local terms energy: -49.964832
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -8.557
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -2.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -101.108654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.108654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.108654 (E_RNA)
where:
Base-Base interactions energy: -51.935
where: short stacking energy: -30.475
Base-Backbone interact. energy: -0.812
local terms energy: -48.361355
where:
bonds (distance) C4'-P energy: -10.312
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -6.039
tors. eta vs tors. theta energy: -5.579
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: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -87.703297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.703297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.703297 (E_RNA)
where:
Base-Base interactions energy: -34.475
where: short stacking energy: -22.269
Base-Backbone interact. energy: 0.842
local terms energy: -54.071073
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -2.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -71.318091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.318091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.318091 (E_RNA)
where:
Base-Base interactions energy: -29.500
where: short stacking energy: -29.066
Base-Backbone interact. energy: -0.465
local terms energy: -41.352488
where:
bonds (distance) C4'-P energy: -7.938
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -11.151
flat angles P-C4'-P energy: -5.988
tors. eta vs tors. theta energy: -3.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -217.985882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.985882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.985882 (E_RNA)
where:
Base-Base interactions energy: -138.341
where: short stacking energy: -63.362
Base-Backbone interact. energy: -0.009
local terms energy: -79.636223
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -20.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -217.296137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.296137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.296137 (E_RNA)
where:
Base-Base interactions energy: -147.614
where: short stacking energy: -64.002
Base-Backbone interact. energy: -0.111
local terms energy: -69.571009
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -15.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -208.617871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.617871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.617871 (E_RNA)
where:
Base-Base interactions energy: -136.012
where: short stacking energy: -51.889
Base-Backbone interact. energy: -0.678
local terms energy: -71.928646
where:
bonds (distance) C4'-P energy: -17.869
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -15.038
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: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -193.211034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.211034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.211034 (E_RNA)
where:
Base-Base interactions energy: -115.954
where: short stacking energy: -62.706
Base-Backbone interact. energy: -0.850
local terms energy: -76.406426
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -21.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -151.771983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.771983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.771983 (E_RNA)
where:
Base-Base interactions energy: -86.309
where: short stacking energy: -50.796
Base-Backbone interact. energy: -0.010
local terms energy: -65.452904
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: -13.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -91.714873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.714873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.714873 (E_RNA)
where:
Base-Base interactions energy: -32.116
where: short stacking energy: -21.645
Base-Backbone interact. energy: -0.152
local terms energy: -59.447065
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -4.034
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: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -88.615950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.615950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.615950 (E_RNA)
where:
Base-Base interactions energy: -36.537
where: short stacking energy: -36.537
Base-Backbone interact. energy: -0.059
local terms energy: -52.020506
where:
bonds (distance) C4'-P energy: -8.941
bonds (distance) P-C4' energy: -9.910
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -5.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -120.200752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.200752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.200752 (E_RNA)
where:
Base-Base interactions energy: -58.131
where: short stacking energy: -46.432
Base-Backbone interact. energy: -0.145
local terms energy: -61.924622
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -11.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -80.846978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.846978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.846978 (E_RNA)
where:
Base-Base interactions energy: -24.897
where: short stacking energy: -21.495
Base-Backbone interact. energy: -0.137
local terms energy: -55.812914
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -1.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -76.730238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.730238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.730238 (E_RNA)
where:
Base-Base interactions energy: -27.434
where: short stacking energy: -24.024
Base-Backbone interact. energy: 0.370
local terms energy: -49.666162
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -7.094
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -6.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -222.987310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.987310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.987310 (E_RNA)
where:
Base-Base interactions energy: -147.034
where: short stacking energy: -65.252
Base-Backbone interact. energy: 0.258
local terms energy: -76.211592
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -19.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -208.272955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.272955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.272955 (E_RNA)
where:
Base-Base interactions energy: -132.708
where: short stacking energy: -54.692
Base-Backbone interact. energy: -0.014
local terms energy: -75.551475
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -18.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -211.046809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.046809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.046809 (E_RNA)
where:
Base-Base interactions energy: -131.548
where: short stacking energy: -67.471
Base-Backbone interact. energy: -0.004
local terms energy: -79.494952
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -24.247
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: 1
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -193.325859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.325859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.325859 (E_RNA)
where:
Base-Base interactions energy: -124.772
where: short stacking energy: -66.132
Base-Backbone interact. energy: 0.459
local terms energy: -69.013689
where:
bonds (distance) C4'-P energy: -7.607
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -14.111
tors. eta vs tors. theta energy: -17.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -148.479942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.479942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.479942 (E_RNA)
where:
Base-Base interactions energy: -86.660
where: short stacking energy: -55.422
Base-Backbone interact. energy: -0.005
local terms energy: -61.814288
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -13.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -95.668656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.668656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.668656 (E_RNA)
where:
Base-Base interactions energy: -31.923
where: short stacking energy: -31.923
Base-Backbone interact. energy: -0.241
local terms energy: -63.505167
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -7.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -84.696316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.696316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.696316 (E_RNA)
where:
Base-Base interactions energy: -27.614
where: short stacking energy: -17.744
Base-Backbone interact. energy: -0.438
local terms energy: -56.644508
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -1.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -89.192379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.192379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.192379 (E_RNA)
where:
Base-Base interactions energy: -33.533
where: short stacking energy: -25.935
Base-Backbone interact. energy: -0.319
local terms energy: -55.340499
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -3.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -85.710605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.710605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.710605 (E_RNA)
where:
Base-Base interactions energy: -39.503
where: short stacking energy: -20.064
Base-Backbone interact. energy: -0.344
local terms energy: -45.863822
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: 0.390
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: 10, replica: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -75.197169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.197169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.197169 (E_RNA)
where:
Base-Base interactions energy: -29.173
where: short stacking energy: -29.173
Base-Backbone interact. energy: -0.070
local terms energy: -45.954048
where:
bonds (distance) C4'-P energy: -6.788
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -3.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -223.962168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.962168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.962168 (E_RNA)
where:
Base-Base interactions energy: -148.314
where: short stacking energy: -63.740
Base-Backbone interact. energy: -0.153
local terms energy: -75.495063
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -21.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -210.513417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.513417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.513417 (E_RNA)
where:
Base-Base interactions energy: -136.531
where: short stacking energy: -66.858
Base-Backbone interact. energy: -1.377
local terms energy: -72.606037
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -17.536
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: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -200.778900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.778900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.778900 (E_RNA)
where:
Base-Base interactions energy: -126.624
where: short stacking energy: -61.772
Base-Backbone interact. energy: -0.128
local terms energy: -74.027494
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: -21.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -204.941361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.941361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.941361 (E_RNA)
where:
Base-Base interactions energy: -137.944
where: short stacking energy: -63.063
Base-Backbone interact. energy: -0.518
local terms energy: -66.478908
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -15.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -136.634438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.634438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.634438 (E_RNA)
where:
Base-Base interactions energy: -83.925
where: short stacking energy: -42.490
Base-Backbone interact. energy: -0.751
local terms energy: -51.958433
where:
bonds (distance) C4'-P energy: -10.257
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -7.742
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: 7
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -88.918155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.918155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.918155 (E_RNA)
where:
Base-Base interactions energy: -31.876
where: short stacking energy: -31.876
Base-Backbone interact. energy: -0.246
local terms energy: -56.796736
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -7.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -88.221766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.221766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.221766 (E_RNA)
where:
Base-Base interactions energy: -38.122
where: short stacking energy: -30.633
Base-Backbone interact. energy: -0.053
local terms energy: -50.046490
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -10.110
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -3.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -84.243740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.243740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.243740 (E_RNA)
where:
Base-Base interactions energy: -35.970
where: short stacking energy: -33.335
Base-Backbone interact. energy: -0.061
local terms energy: -48.212302
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -3.471
tors. eta vs tors. theta energy: -2.168
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: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -75.959982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.959982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.959982 (E_RNA)
where:
Base-Base interactions energy: -30.586
where: short stacking energy: -20.059
Base-Backbone interact. energy: -0.180
local terms energy: -45.194364
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -7.207
flat angles P-C4'-P energy: -5.247
tors. eta vs tors. theta energy: -0.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -77.925288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.925288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.925288 (E_RNA)
where:
Base-Base interactions energy: -29.272
where: short stacking energy: -23.924
Base-Backbone interact. energy: -0.169
local terms energy: -48.484323
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -3.571
tors. eta vs tors. theta energy: -2.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -224.431107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.431107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.431107 (E_RNA)
where:
Base-Base interactions energy: -146.899
where: short stacking energy: -64.453
Base-Backbone interact. energy: -0.100
local terms energy: -77.431623
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -20.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -202.275713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.275713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.275713 (E_RNA)
where:
Base-Base interactions energy: -130.038
where: short stacking energy: -69.481
Base-Backbone interact. energy: -0.367
local terms energy: -71.870848
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -18.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -210.351348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.351348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.351348 (E_RNA)
where:
Base-Base interactions energy: -143.290
where: short stacking energy: -58.084
Base-Backbone interact. energy: -0.116
local terms energy: -66.945161
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -16.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -205.573101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.573101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.573101 (E_RNA)
where:
Base-Base interactions energy: -136.087
where: short stacking energy: -66.157
Base-Backbone interact. energy: -0.002
local terms energy: -69.484389
where:
bonds (distance) C4'-P energy: -7.339
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -16.775
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: 33
Temperature: 1.100000
Total energy: -100.696450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.696450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.696450 (E_RNA)
where:
Base-Base interactions energy: -43.837
where: short stacking energy: -34.570
Base-Backbone interact. energy: 0.240
local terms energy: -57.099480
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -6.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -104.694853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.694853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.694853 (E_RNA)
where:
Base-Base interactions energy: -53.516
where: short stacking energy: -29.312
Base-Backbone interact. energy: -0.985
local terms energy: -50.194062
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: 0.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -102.195775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.195775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.195775 (E_RNA)
where:
Base-Base interactions energy: -46.707
where: short stacking energy: -27.336
Base-Backbone interact. energy: -0.142
local terms energy: -55.346747
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -6.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -87.390934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.390934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.390934 (E_RNA)
where:
Base-Base interactions energy: -32.134
where: short stacking energy: -28.574
Base-Backbone interact. energy: -0.030
local terms energy: -55.227171
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -5.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -79.640042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.640042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.640042 (E_RNA)
where:
Base-Base interactions energy: -30.414
where: short stacking energy: -30.414
Base-Backbone interact. energy: -0.639
local terms energy: -48.586413
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -8.789
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -4.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -71.140947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.140947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.140947 (E_RNA)
where:
Base-Base interactions energy: -33.660
where: short stacking energy: -24.440
Base-Backbone interact. energy: -1.200
local terms energy: -36.280708
where:
bonds (distance) C4'-P energy: -8.840
bonds (distance) P-C4' energy: -8.480
flat angles C4'-P-C4' energy: -10.839
flat angles P-C4'-P energy: -4.892
tors. eta vs tors. theta energy: -3.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -224.936768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.936768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.936768 (E_RNA)
where:
Base-Base interactions energy: -150.783
where: short stacking energy: -58.513
Base-Backbone interact. energy: -0.116
local terms energy: -74.036989
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -17.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -207.073164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.073164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.073164 (E_RNA)
where:
Base-Base interactions energy: -127.895
where: short stacking energy: -70.813
Base-Backbone interact. energy: -0.009
local terms energy: -79.169034
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -18.734
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: 34
Temperature: 1.000000
Total energy: -212.362504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.362504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.362504 (E_RNA)
where:
Base-Base interactions energy: -136.464
where: short stacking energy: -62.383
Base-Backbone interact. energy: -0.004
local terms energy: -75.894789
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -18.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -200.344652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.344652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.344652 (E_RNA)
where:
Base-Base interactions energy: -133.497
where: short stacking energy: -55.150
Base-Backbone interact. energy: -0.271
local terms energy: -66.576544
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -12.672
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: 8
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -125.416623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.416623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.416623 (E_RNA)
where:
Base-Base interactions energy: -62.459
where: short stacking energy: -39.315
Base-Backbone interact. energy: -0.333
local terms energy: -62.625164
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -11.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -112.757934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.757934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.757934 (E_RNA)
where:
Base-Base interactions energy: -58.717
where: short stacking energy: -35.324
Base-Backbone interact. energy: -0.009
local terms energy: -54.032479
where:
bonds (distance) C4'-P energy: -9.279
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -4.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -83.363267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.363267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.363267 (E_RNA)
where:
Base-Base interactions energy: -29.121
where: short stacking energy: -29.121
Base-Backbone interact. energy: 2.535
local terms energy: -56.777544
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -3.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -82.539513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.539513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.539513 (E_RNA)
where:
Base-Base interactions energy: -28.803
where: short stacking energy: -26.998
Base-Backbone interact. energy: -0.009
local terms energy: -53.727477
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -5.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -77.894740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.894740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.894740 (E_RNA)
where:
Base-Base interactions energy: -29.515
where: short stacking energy: -24.152
Base-Backbone interact. energy: -0.083
local terms energy: -48.296516
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -8.466
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -2.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -78.855696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.855696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.855696 (E_RNA)
where:
Base-Base interactions energy: -24.007
where: short stacking energy: -20.230
Base-Backbone interact. energy: -0.329
local terms energy: -54.520260
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -11.278
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -0.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -223.446189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.446189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.446189 (E_RNA)
where:
Base-Base interactions energy: -150.290
where: short stacking energy: -63.447
Base-Backbone interact. energy: -0.117
local terms energy: -73.038409
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -19.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -212.309986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.309986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.309986 (E_RNA)
where:
Base-Base interactions energy: -140.453
where: short stacking energy: -68.931
Base-Backbone interact. energy: -0.057
local terms energy: -71.799325
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -15.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -197.015570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.015570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.015570 (E_RNA)
where:
Base-Base interactions energy: -123.471
where: short stacking energy: -63.416
Base-Backbone interact. energy: -0.036
local terms energy: -73.508756
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -19.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -205.716706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.716706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.716706 (E_RNA)
where:
Base-Base interactions energy: -139.735
where: short stacking energy: -61.868
Base-Backbone interact. energy: -0.012
local terms energy: -65.969328
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -11.663
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -11.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -106.575673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.575673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.575673 (E_RNA)
where:
Base-Base interactions energy: -56.363
where: short stacking energy: -28.683
Base-Backbone interact. energy: -0.020
local terms energy: -50.192745
where:
bonds (distance) C4'-P energy: -10.665
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -3.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -122.071514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.071514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.071514 (E_RNA)
where:
Base-Base interactions energy: -57.482
where: short stacking energy: -27.988
Base-Backbone interact. energy: -0.035
local terms energy: -64.553890
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -10.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -90.644426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.644426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.644426 (E_RNA)
where:
Base-Base interactions energy: -35.967
where: short stacking energy: -35.967
Base-Backbone interact. energy: -0.002
local terms energy: -54.675598
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -14.401
flat angles C4'-P-C4' energy: -10.474
flat angles P-C4'-P energy: -6.656
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: 8, replica: 7
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -93.287609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.287609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.287609 (E_RNA)
where:
Base-Base interactions energy: -37.897
where: short stacking energy: -35.920
Base-Backbone interact. energy: -0.122
local terms energy: -55.268654
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -5.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -83.079771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.079771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.079771 (E_RNA)
where:
Base-Base interactions energy: -29.981
where: short stacking energy: -17.042
Base-Backbone interact. energy: 4.140
local terms energy: -57.239177
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -3.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -67.459627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.459627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.459627 (E_RNA)
where:
Base-Base interactions energy: -23.440
where: short stacking energy: -18.773
Base-Backbone interact. energy: -0.331
local terms energy: -43.689128
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -1.788
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -217.346028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.346028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.346028 (E_RNA)
where:
Base-Base interactions energy: -141.001
where: short stacking energy: -70.704
Base-Backbone interact. energy: -0.177
local terms energy: -76.168498
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -15.848
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: 2, replica: 5
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -215.331649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.331649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.331649 (E_RNA)
where:
Base-Base interactions energy: -141.308
where: short stacking energy: -64.239
Base-Backbone interact. energy: -0.009
local terms energy: -74.014705
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -17.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -208.176880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.176880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.176880 (E_RNA)
where:
Base-Base interactions energy: -140.632
where: short stacking energy: -64.639
Base-Backbone interact. energy: -0.026
local terms energy: -67.519075
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -17.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -193.155565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.155565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.155565 (E_RNA)
where:
Base-Base interactions energy: -120.949
where: short stacking energy: -62.902
Base-Backbone interact. energy: -0.007
local terms energy: -72.199520
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -21.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -138.065932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.065932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.065932 (E_RNA)
where:
Base-Base interactions energy: -69.928
where: short stacking energy: -46.592
Base-Backbone interact. energy: -0.030
local terms energy: -68.107803
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -13.106
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: 8
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -83.689131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.689131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.689131 (E_RNA)
where:
Base-Base interactions energy: -30.457
where: short stacking energy: -28.490
Base-Backbone interact. energy: -0.041
local terms energy: -53.191113
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: -5.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -98.447713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.447713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.447713 (E_RNA)
where:
Base-Base interactions energy: -37.670
where: short stacking energy: -33.331
Base-Backbone interact. energy: -0.085
local terms energy: -60.692627
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -6.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -79.461035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.461035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.461035 (E_RNA)
where:
Base-Base interactions energy: -29.040
where: short stacking energy: -29.040
Base-Backbone interact. energy: -0.034
local terms energy: -50.386905
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -2.807
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: 10
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -82.218168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.218168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.218168 (E_RNA)
where:
Base-Base interactions energy: -33.858
where: short stacking energy: -30.874
Base-Backbone interact. energy: -0.044
local terms energy: -48.316007
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -5.502
tors. eta vs tors. theta energy: -3.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -68.333052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.333052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.333052 (E_RNA)
where:
Base-Base interactions energy: -26.771
where: short stacking energy: -23.010
Base-Backbone interact. energy: -0.198
local terms energy: -41.364096
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -4.795
flat angles P-C4'-P energy: -5.653
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: 1, replica: 3
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -223.270435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.270435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.270435 (E_RNA)
where:
Base-Base interactions energy: -145.417
where: short stacking energy: -64.326
Base-Backbone interact. energy: -0.627
local terms energy: -77.226314
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -16.291
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: 37
Temperature: 0.950000
Total energy: -216.758989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.758989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.758989 (E_RNA)
where:
Base-Base interactions energy: -138.231
where: short stacking energy: -65.394
Base-Backbone interact. energy: 0.234
local terms energy: -78.761856
where:
bonds (distance) C4'-P energy: -16.846
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -18.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -207.043713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.043713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.043713 (E_RNA)
where:
Base-Base interactions energy: -128.467
where: short stacking energy: -55.810
Base-Backbone interact. energy: -0.008
local terms energy: -78.568945
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -12.894
tors. eta vs tors. theta energy: -16.455
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: 1
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -178.210544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.210544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.210544 (E_RNA)
where:
Base-Base interactions energy: -112.632
where: short stacking energy: -62.601
Base-Backbone interact. energy: -0.112
local terms energy: -65.466712
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -13.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -112.071046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.071046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.071046 (E_RNA)
where:
Base-Base interactions energy: -67.389
where: short stacking energy: -38.359
Base-Backbone interact. energy: 0.193
local terms energy: -44.875762
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -11.107
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: -1.337
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: 7
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -95.540142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.540142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.540142 (E_RNA)
where:
Base-Base interactions energy: -43.146
where: short stacking energy: -34.624
Base-Backbone interact. energy: -0.095
local terms energy: -52.298705
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -11.292
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -9.244
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: 7, replica: 8
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -96.526737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.526737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.526737 (E_RNA)
where:
Base-Base interactions energy: -40.565
where: short stacking energy: -28.946
Base-Backbone interact. energy: -0.271
local terms energy: -55.690715
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -11.252
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -6.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -91.877952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.877952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.877952 (E_RNA)
where:
Base-Base interactions energy: -36.217
where: short stacking energy: -36.217
Base-Backbone interact. energy: 0.225
local terms energy: -55.886489
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -10.633
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -6.132
tors. eta vs tors. theta energy: -9.090
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: 9, replica: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -79.980169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.980169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.980169 (E_RNA)
where:
Base-Base interactions energy: -40.801
where: short stacking energy: -41.147
Base-Backbone interact. energy: -0.088
local terms energy: -39.090877
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -6.441
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: -2.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -73.374982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.374982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.374982 (E_RNA)
where:
Base-Base interactions energy: -31.516
where: short stacking energy: -24.051
Base-Backbone interact. energy: -0.177
local terms energy: -41.682173
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -10.567
flat angles P-C4'-P energy: -5.555
tors. eta vs tors. theta energy: 0.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -226.162468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.162468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.162468 (E_RNA)
where:
Base-Base interactions energy: -152.504
where: short stacking energy: -64.019
Base-Backbone interact. energy: -0.006
local terms energy: -73.652523
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -20.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -223.741726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.741726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.741726 (E_RNA)
where:
Base-Base interactions energy: -145.105
where: short stacking energy: -64.158
Base-Backbone interact. energy: -0.237
local terms energy: -78.399946
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -22.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -195.198546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.198546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.198546 (E_RNA)
where:
Base-Base interactions energy: -127.096
where: short stacking energy: -59.429
Base-Backbone interact. energy: -0.019
local terms energy: -68.084417
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: -15.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -184.239936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.239936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.239936 (E_RNA)
where:
Base-Base interactions energy: -107.590
where: short stacking energy: -52.102
Base-Backbone interact. energy: -0.107
local terms energy: -76.543002
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -18.064
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -15.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -113.485887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.485887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.485887 (E_RNA)
where:
Base-Base interactions energy: -55.206
where: short stacking energy: -43.960
Base-Backbone interact. energy: -0.078
local terms energy: -58.202536
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -10.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -137.727029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.727029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.727029 (E_RNA)
where:
Base-Base interactions energy: -79.842
where: short stacking energy: -40.479
Base-Backbone interact. energy: -0.101
local terms energy: -57.783725
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -5.517
tors. eta vs tors. theta energy: -6.591
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: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -98.396346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.396346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.396346 (E_RNA)
where:
Base-Base interactions energy: -41.025
where: short stacking energy: -26.413
Base-Backbone interact. energy: 1.228
local terms energy: -58.599234
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -3.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -100.089641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.089641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.089641 (E_RNA)
where:
Base-Base interactions energy: -38.354
where: short stacking energy: -38.354
Base-Backbone interact. energy: -0.196
local terms energy: -61.540095
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -4.860
tors. eta vs tors. theta energy: -9.890
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: 9, replica: 2
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -79.482051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.482051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.482051 (E_RNA)
where:
Base-Base interactions energy: -32.282
where: short stacking energy: -21.159
Base-Backbone interact. energy: -0.154
local terms energy: -47.046455
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -8.881
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -1.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -71.175821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.175821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.175821 (E_RNA)
where:
Base-Base interactions energy: -24.931
where: short stacking energy: -20.950
Base-Backbone interact. energy: -0.499
local terms energy: -45.745632
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -9.319
flat angles P-C4'-P energy: -6.078
tors. eta vs tors. theta energy: 2.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -224.215666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.215666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.215666 (E_RNA)
where:
Base-Base interactions energy: -152.186
where: short stacking energy: -61.466
Base-Backbone interact. energy: -0.040
local terms energy: -71.990007
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -18.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -221.149875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.149875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.149875 (E_RNA)
where:
Base-Base interactions energy: -139.257
where: short stacking energy: -57.426
Base-Backbone interact. energy: -0.049
local terms energy: -81.843796
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -17.272
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: 3, replica: 6
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -187.038331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.038331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.038331 (E_RNA)
where:
Base-Base interactions energy: -119.492
where: short stacking energy: -54.433
Base-Backbone interact. energy: -0.009
local terms energy: -67.537079
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -16.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -182.512134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.512134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.512134 (E_RNA)
where:
Base-Base interactions energy: -115.441
where: short stacking energy: -63.833
Base-Backbone interact. energy: -0.014
local terms energy: -67.057942
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -17.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -117.410265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.410265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.410265 (E_RNA)
where:
Base-Base interactions energy: -48.318
where: short stacking energy: -48.318
Base-Backbone interact. energy: -0.005
local terms energy: -69.087314
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -13.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -143.297537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.297537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.297537 (E_RNA)
where:
Base-Base interactions energy: -82.354
where: short stacking energy: -42.828
Base-Backbone interact. energy: -0.212
local terms energy: -60.731192
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -6.608
tors. eta vs tors. theta energy: -10.543
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: 39
Temperature: 1.200000
Total energy: -93.697981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.697981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.697981 (E_RNA)
where:
Base-Base interactions energy: -31.596
where: short stacking energy: -31.596
Base-Backbone interact. energy: -0.000
local terms energy: -62.101592
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -7.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -87.938428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.938428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.938428 (E_RNA)
where:
Base-Base interactions energy: -30.134
where: short stacking energy: -28.026
Base-Backbone interact. energy: -0.047
local terms energy: -57.757822
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -5.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -75.364256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.364256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.364256 (E_RNA)
where:
Base-Base interactions energy: -35.430
where: short stacking energy: -35.430
Base-Backbone interact. energy: -0.158
local terms energy: -39.776022
where:
bonds (distance) C4'-P energy: -9.436
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -10.564
flat angles P-C4'-P energy: -6.016
tors. eta vs tors. theta energy: -2.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -73.400997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.400997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.400997 (E_RNA)
where:
Base-Base interactions energy: -28.961
where: short stacking energy: -29.061
Base-Backbone interact. energy: -0.213
local terms energy: -44.226612
where:
bonds (distance) C4'-P energy: -7.376
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -0.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -216.842560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.842560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.842560 (E_RNA)
where:
Base-Base interactions energy: -147.878
where: short stacking energy: -59.871
Base-Backbone interact. energy: -0.138
local terms energy: -68.826936
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -13.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -221.893525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.893525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.893525 (E_RNA)
where:
Base-Base interactions energy: -148.213
where: short stacking energy: -59.633
Base-Backbone interact. energy: -0.009
local terms energy: -73.671696
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -15.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -193.684497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.684497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.684497 (E_RNA)
where:
Base-Base interactions energy: -123.369
where: short stacking energy: -66.568
Base-Backbone interact. energy: -0.038
local terms energy: -70.277982
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -19.309
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: 6
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -187.416138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.416138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.416138 (E_RNA)
where:
Base-Base interactions energy: -124.763
where: short stacking energy: -48.087
Base-Backbone interact. energy: -0.296
local terms energy: -62.357408
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -4.979
tors. eta vs tors. theta energy: -12.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -187.462046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.462046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.462046 (E_RNA)
where:
Base-Base interactions energy: -126.250
where: short stacking energy: -50.695
Base-Backbone interact. energy: -0.055
local terms energy: -61.157055
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -10.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -112.146501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.146501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.146501 (E_RNA)
where:
Base-Base interactions energy: -50.654
where: short stacking energy: -43.265
Base-Backbone interact. energy: -0.004
local terms energy: -61.488303
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -13.578
tors. eta vs tors. theta energy: -11.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -99.099452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.099452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.099452 (E_RNA)
where:
Base-Base interactions energy: -39.888
where: short stacking energy: -27.217
Base-Backbone interact. energy: -0.248
local terms energy: -58.964092
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -7.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -89.449485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.449485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.449485 (E_RNA)
where:
Base-Base interactions energy: -35.286
where: short stacking energy: -29.682
Base-Backbone interact. energy: -0.184
local terms energy: -53.979044
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -10.335
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -4.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -81.721026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.721026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.721026 (E_RNA)
where:
Base-Base interactions energy: -27.742
where: short stacking energy: -21.135
Base-Backbone interact. energy: -1.440
local terms energy: -52.539055
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: 0.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -77.798922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.798922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.798922 (E_RNA)
where:
Base-Base interactions energy: -17.842
where: short stacking energy: -17.842
Base-Backbone interact. energy: 0.639
local terms energy: -60.595797
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -3.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -220.599537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.599537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.599537 (E_RNA)
where:
Base-Base interactions energy: -141.973
where: short stacking energy: -65.082
Base-Backbone interact. energy: -0.001
local terms energy: -78.625595
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -17.916
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -23.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -221.225175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.225175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.225175 (E_RNA)
where:
Base-Base interactions energy: -146.184
where: short stacking energy: -66.202
Base-Backbone interact. energy: -0.006
local terms energy: -75.034723
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -9.193
flat angles C4'-P-C4' energy: -18.573
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -18.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -200.440658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.440658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.440658 (E_RNA)
where:
Base-Base interactions energy: -119.777
where: short stacking energy: -64.661
Base-Backbone interact. energy: -0.056
local terms energy: -80.607210
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -18.338
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -21.139
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: 6
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -190.795800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.795800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.795800 (E_RNA)
where:
Base-Base interactions energy: -117.541
where: short stacking energy: -55.579
Base-Backbone interact. energy: -0.617
local terms energy: -72.637503
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -15.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -192.075483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.075483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.075483 (E_RNA)
where:
Base-Base interactions energy: -126.957
where: short stacking energy: -55.153
Base-Backbone interact. energy: -0.220
local terms energy: -64.898531
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -12.960
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: 2
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -101.727303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.727303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.727303 (E_RNA)
where:
Base-Base interactions energy: -35.968
where: short stacking energy: -35.968
Base-Backbone interact. energy: -0.102
local terms energy: -65.657595
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -10.180
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -9.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -111.712926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.712926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.712926 (E_RNA)
where:
Base-Base interactions energy: -51.562
where: short stacking energy: -27.638
Base-Backbone interact. energy: -1.225
local terms energy: -58.925165
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -3.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -95.496649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.496649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.496649 (E_RNA)
where:
Base-Base interactions energy: -42.997
where: short stacking energy: -38.988
Base-Backbone interact. energy: -0.989
local terms energy: -51.510411
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -13.087
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -5.007
tors. eta vs tors. theta energy: -8.441
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: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -80.420409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.420409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.420409 (E_RNA)
where:
Base-Base interactions energy: -31.634
where: short stacking energy: -20.022
Base-Backbone interact. energy: -0.101
local terms energy: -48.685825
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -7.284
flat angles P-C4'-P energy: -5.250
tors. eta vs tors. theta energy: -3.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -73.453662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.453662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.453662 (E_RNA)
where:
Base-Base interactions energy: -30.564
where: short stacking energy: -22.982
Base-Backbone interact. energy: -0.048
local terms energy: -42.841463
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -9.145
flat angles P-C4'-P energy: -3.896
tors. eta vs tors. theta energy: 0.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -226.101931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.101931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.101931 (E_RNA)
where:
Base-Base interactions energy: -149.507
where: short stacking energy: -55.811
Base-Backbone interact. energy: -0.099
local terms energy: -76.496231
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -21.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -224.419970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.419970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.419970 (E_RNA)
where:
Base-Base interactions energy: -155.700
where: short stacking energy: -65.026
Base-Backbone interact. energy: -0.049
local terms energy: -68.670817
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -10.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -217.428428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.428428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.428428 (E_RNA)
where:
Base-Base interactions energy: -144.250
where: short stacking energy: -63.337
Base-Backbone interact. energy: -0.010
local terms energy: -73.168285
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -12.136
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -19.007
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: 1
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -191.028472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.028472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.028472 (E_RNA)
where:
Base-Base interactions energy: -116.286
where: short stacking energy: -64.772
Base-Backbone interact. energy: -0.181
local terms energy: -74.561230
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -19.120
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: 4
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -183.818145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.818145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.818145 (E_RNA)
where:
Base-Base interactions energy: -121.661
where: short stacking energy: -50.313
Base-Backbone interact. energy: -0.645
local terms energy: -61.511610
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -7.669
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: 2
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -95.112441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.112441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.112441 (E_RNA)
where:
Base-Base interactions energy: -37.860
where: short stacking energy: -29.774
Base-Backbone interact. energy: -0.151
local terms energy: -57.101614
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -5.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -91.422943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.422943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.422943 (E_RNA)
where:
Base-Base interactions energy: -36.764
where: short stacking energy: -35.589
Base-Backbone interact. energy: -0.129
local terms energy: -54.529839
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -5.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -86.158547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.158547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.158547 (E_RNA)
where:
Base-Base interactions energy: -39.075
where: short stacking energy: -20.950
Base-Backbone interact. energy: 1.812
local terms energy: -48.895159
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -12.826
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -80.522390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.522390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.522390 (E_RNA)
where:
Base-Base interactions energy: -32.997
where: short stacking energy: -26.373
Base-Backbone interact. energy: -1.212
local terms energy: -46.313049
where:
bonds (distance) C4'-P energy: -7.762
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -4.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -83.137926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.137926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.137926 (E_RNA)
where:
Base-Base interactions energy: -32.615
where: short stacking energy: -32.615
Base-Backbone interact. energy: -0.145
local terms energy: -50.377752
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -10.515
flat angles P-C4'-P energy: -6.298
tors. eta vs tors. theta energy: -6.591
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: 43
Temperature: 0.900000
Total energy: -226.256991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.256991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.256991 (E_RNA)
where:
Base-Base interactions energy: -144.118
where: short stacking energy: -70.166
Base-Backbone interact. energy: -0.376
local terms energy: -81.762102
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -22.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -220.826683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.826683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.826683 (E_RNA)
where:
Base-Base interactions energy: -147.694
where: short stacking energy: -69.825
Base-Backbone interact. energy: -0.011
local terms energy: -73.121412
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -20.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -213.672764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.672764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.672764 (E_RNA)
where:
Base-Base interactions energy: -137.168
where: short stacking energy: -68.984
Base-Backbone interact. energy: -0.025
local terms energy: -76.479937
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -20.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -187.852871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.852871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.852871 (E_RNA)
where:
Base-Base interactions energy: -123.522
where: short stacking energy: -63.152
Base-Backbone interact. energy: -0.002
local terms energy: -64.329520
where:
bonds (distance) C4'-P energy: -8.430
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -17.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -204.311005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.311005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.311005 (E_RNA)
where:
Base-Base interactions energy: -130.512
where: short stacking energy: -61.609
Base-Backbone interact. energy: -0.003
local terms energy: -73.796488
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -17.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -100.022499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.022499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.022499 (E_RNA)
where:
Base-Base interactions energy: -43.357
where: short stacking energy: -35.741
Base-Backbone interact. energy: -0.071
local terms energy: -56.594337
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -9.790
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -5.676
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: 7, replica: 2
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -117.157355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.157355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.157355 (E_RNA)
where:
Base-Base interactions energy: -60.030
where: short stacking energy: -38.078
Base-Backbone interact. energy: 0.260
local terms energy: -57.387430
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -10.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -91.709662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.709662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.709662 (E_RNA)
where:
Base-Base interactions energy: -46.262
where: short stacking energy: -25.425
Base-Backbone interact. energy: -0.567
local terms energy: -44.880768
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -11.995
flat angles C4'-P-C4' energy: -9.058
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -0.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -76.029205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.029205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.029205 (E_RNA)
where:
Base-Base interactions energy: -29.814
where: short stacking energy: -30.247
Base-Backbone interact. energy: -0.089
local terms energy: -46.127010
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -9.444
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: 0.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -80.909789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.909789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.909789 (E_RNA)
where:
Base-Base interactions energy: -33.032
where: short stacking energy: -23.640
Base-Backbone interact. energy: -0.150
local terms energy: -47.727601
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -1.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -228.527154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.527154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.527154 (E_RNA)
where:
Base-Base interactions energy: -151.634
where: short stacking energy: -72.497
Base-Backbone interact. energy: -0.013
local terms energy: -76.880249
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -15.781
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -21.204
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: 2, replica: 5
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -213.447686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.447686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.447686 (E_RNA)
where:
Base-Base interactions energy: -139.204
where: short stacking energy: -58.917
Base-Backbone interact. energy: -0.011
local terms energy: -74.232655
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -17.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -213.253851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.253851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.253851 (E_RNA)
where:
Base-Base interactions energy: -140.670
where: short stacking energy: -58.946
Base-Backbone interact. energy: -0.001
local terms energy: -72.583051
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -19.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -190.333101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.333101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.333101 (E_RNA)
where:
Base-Base interactions energy: -118.703
where: short stacking energy: -59.085
Base-Backbone interact. energy: -0.002
local terms energy: -71.628637
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -6.196
tors. eta vs tors. theta energy: -17.316
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: 4
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -199.137330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.137330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.137330 (E_RNA)
where:
Base-Base interactions energy: -130.832
where: short stacking energy: -53.029
Base-Backbone interact. energy: -0.022
local terms energy: -68.283529
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -15.661
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -15.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -104.283027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.283027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.283027 (E_RNA)
where:
Base-Base interactions energy: -48.476
where: short stacking energy: -32.174
Base-Backbone interact. energy: -0.707
local terms energy: -55.099615
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -2.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -85.262102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.262102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.262102 (E_RNA)
where:
Base-Base interactions energy: -37.185
where: short stacking energy: -25.321
Base-Backbone interact. energy: -0.877
local terms energy: -47.200290
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -10.979
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -6.562
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -78.165993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.165993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.165993 (E_RNA)
where:
Base-Base interactions energy: -28.165
where: short stacking energy: -25.595
Base-Backbone interact. energy: -0.082
local terms energy: -49.919643
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: 0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -76.550400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.550400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.550400 (E_RNA)
where:
Base-Base interactions energy: -24.101
where: short stacking energy: -24.101
Base-Backbone interact. energy: -0.136
local terms energy: -52.313340
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -6.191
tors. eta vs tors. theta energy: -2.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -69.343392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.343392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.343392 (E_RNA)
where:
Base-Base interactions energy: -22.247
where: short stacking energy: -22.247
Base-Backbone interact. energy: -0.015
local terms energy: -47.080808
where:
bonds (distance) C4'-P energy: -9.122
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -5.918
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -6.357
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: 6
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -225.612609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.612609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.612609 (E_RNA)
where:
Base-Base interactions energy: -152.737
where: short stacking energy: -61.473
Base-Backbone interact. energy: -0.105
local terms energy: -72.770256
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -18.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -223.715641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.715641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.715641 (E_RNA)
where:
Base-Base interactions energy: -143.951
where: short stacking energy: -62.608
Base-Backbone interact. energy: -0.003
local terms energy: -79.761450
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -22.186
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: 3, replica: 5
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -215.780352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.780352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.780352 (E_RNA)
where:
Base-Base interactions energy: -145.617
where: short stacking energy: -66.186
Base-Backbone interact. energy: -0.162
local terms energy: -70.001663
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -18.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -205.554389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.554389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.554389 (E_RNA)
where:
Base-Base interactions energy: -133.764
where: short stacking energy: -51.519
Base-Backbone interact. energy: -0.095
local terms energy: -71.695271
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -16.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -189.124584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.124584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.124584 (E_RNA)
where:
Base-Base interactions energy: -116.792
where: short stacking energy: -56.625
Base-Backbone interact. energy: -0.012
local terms energy: -72.320050
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -20.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -93.900107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.900107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.900107 (E_RNA)
where:
Base-Base interactions energy: -37.019
where: short stacking energy: -36.800
Base-Backbone interact. energy: -0.954
local terms energy: -55.927597
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -7.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -103.682484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.682484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.682484 (E_RNA)
where:
Base-Base interactions energy: -45.311
where: short stacking energy: -31.033
Base-Backbone interact. energy: -0.139
local terms energy: -58.232618
where:
bonds (distance) C4'-P energy: -11.464
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -9.601
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -8.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -79.374077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.374077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.374077 (E_RNA)
where:
Base-Base interactions energy: -29.270
where: short stacking energy: -26.530
Base-Backbone interact. energy: -0.062
local terms energy: -50.042377
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -11.652
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -4.718
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: 45
Temperature: 1.300000
Total energy: -75.165783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.165783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.165783 (E_RNA)
where:
Base-Base interactions energy: -28.890
where: short stacking energy: -28.890
Base-Backbone interact. energy: -0.206
local terms energy: -46.069542
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -10.966
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -1.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -69.235109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.235109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.235109 (E_RNA)
where:
Base-Base interactions energy: -28.641
where: short stacking energy: -22.359
Base-Backbone interact. energy: 0.053
local terms energy: -40.647415
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -13.674
flat angles C4'-P-C4' energy: -7.341
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: 4.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -229.163759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.163759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.163759 (E_RNA)
where:
Base-Base interactions energy: -156.515
where: short stacking energy: -67.028
Base-Backbone interact. energy: -0.084
local terms energy: -72.565070
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -19.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -216.889608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.889608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.889608 (E_RNA)
where:
Base-Base interactions energy: -144.097
where: short stacking energy: -64.904
Base-Backbone interact. energy: 0.065
local terms energy: -72.857714
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -18.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -217.374877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.374877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.374877 (E_RNA)
where:
Base-Base interactions energy: -144.243
where: short stacking energy: -58.664
Base-Backbone interact. energy: -0.002
local terms energy: -73.129910
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -17.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -206.445058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.445058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.445058 (E_RNA)
where:
Base-Base interactions energy: -131.076
where: short stacking energy: -52.153
Base-Backbone interact. energy: -0.010
local terms energy: -75.359416
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -17.118
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: 5, replica: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -191.007636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.007636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.007636 (E_RNA)
where:
Base-Base interactions energy: -117.452
where: short stacking energy: -58.789
Base-Backbone interact. energy: -2.760
local terms energy: -70.795149
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -14.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -86.336931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.336931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.336931 (E_RNA)
where:
Base-Base interactions energy: -32.126
where: short stacking energy: -32.048
Base-Backbone interact. energy: -0.037
local terms energy: -54.173577
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -2.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -83.793709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.793709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.793709 (E_RNA)
where:
Base-Base interactions energy: -37.691
where: short stacking energy: -35.171
Base-Backbone interact. energy: 0.142
local terms energy: -46.244408
where:
bonds (distance) C4'-P energy: -9.879
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -9.682
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -0.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -97.575085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.575085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.575085 (E_RNA)
where:
Base-Base interactions energy: -57.505
where: short stacking energy: -33.333
Base-Backbone interact. energy: -0.390
local terms energy: -39.679428
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -8.331
flat angles C4'-P-C4' energy: -10.153
flat angles P-C4'-P energy: -3.052
tors. eta vs tors. theta energy: -2.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -81.064249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.064249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.064249 (E_RNA)
where:
Base-Base interactions energy: -30.865
where: short stacking energy: -27.659
Base-Backbone interact. energy: -0.419
local terms energy: -49.780160
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -11.414
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -3.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -88.791142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.791142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.791142 (E_RNA)
where:
Base-Base interactions energy: -42.829
where: short stacking energy: -36.309
Base-Backbone interact. energy: -0.149
local terms energy: -45.812663
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -9.001
flat angles P-C4'-P energy: -1.405
tors. eta vs tors. theta energy: -6.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -227.517399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.517399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.517399 (E_RNA)
where:
Base-Base interactions energy: -154.325
where: short stacking energy: -66.794
Base-Backbone interact. energy: -0.717
local terms energy: -72.475091
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -12.164
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -18.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -220.419343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.419343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.419343 (E_RNA)
where:
Base-Base interactions energy: -147.438
where: short stacking energy: -70.440
Base-Backbone interact. energy: -0.001
local terms energy: -72.980867
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -17.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -215.539361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.539361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.539361 (E_RNA)
where:
Base-Base interactions energy: -139.561
where: short stacking energy: -55.939
Base-Backbone interact. energy: -0.063
local terms energy: -75.915548
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -17.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -215.228587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.228587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.228587 (E_RNA)
where:
Base-Base interactions energy: -146.779
where: short stacking energy: -59.957
Base-Backbone interact. energy: -0.008
local terms energy: -68.441396
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -10.552
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -17.726
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: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -183.227942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.227942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.227942 (E_RNA)
where:
Base-Base interactions energy: -110.658
where: short stacking energy: -54.942
Base-Backbone interact. energy: -0.092
local terms energy: -72.478332
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -14.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -91.181245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.181245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.181245 (E_RNA)
where:
Base-Base interactions energy: -43.070
where: short stacking energy: -36.040
Base-Backbone interact. energy: 1.141
local terms energy: -49.252243
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -5.607
tors. eta vs tors. theta energy: -4.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -92.922217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.922217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.922217 (E_RNA)
where:
Base-Base interactions energy: -38.367
where: short stacking energy: -27.934
Base-Backbone interact. energy: -0.141
local terms energy: -54.413867
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -3.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -87.094614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.094614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.094614 (E_RNA)
where:
Base-Base interactions energy: -27.651
where: short stacking energy: -22.879
Base-Backbone interact. energy: -0.062
local terms energy: -59.381109
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -6.145
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: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -92.938261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.938261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.938261 (E_RNA)
where:
Base-Base interactions energy: -45.364
where: short stacking energy: -26.024
Base-Backbone interact. energy: -0.240
local terms energy: -47.334405
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -9.557
flat angles P-C4'-P energy: -8.511
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: 10, replica: 2
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -66.715713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.715713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.715713 (E_RNA)
where:
Base-Base interactions energy: -18.396
where: short stacking energy: -16.190
Base-Backbone interact. energy: -1.413
local terms energy: -46.906827
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: 2.699
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: 48
Temperature: 0.900000
Total energy: -221.030685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.030685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.030685 (E_RNA)
where:
Base-Base interactions energy: -142.857
where: short stacking energy: -67.996
Base-Backbone interact. energy: -0.004
local terms energy: -78.169009
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -21.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -221.866053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.866053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.866053 (E_RNA)
where:
Base-Base interactions energy: -148.064
where: short stacking energy: -57.770
Base-Backbone interact. energy: -0.195
local terms energy: -73.606656
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -17.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -213.398690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.398690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.398690 (E_RNA)
where:
Base-Base interactions energy: -142.445
where: short stacking energy: -62.643
Base-Backbone interact. energy: -0.042
local terms energy: -70.912159
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -17.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -191.760662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.760662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.760662 (E_RNA)
where:
Base-Base interactions energy: -123.720
where: short stacking energy: -56.012
Base-Backbone interact. energy: -0.266
local terms energy: -67.775013
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -12.701
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: 5, replica: 1
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -188.694101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.694101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.694101 (E_RNA)
where:
Base-Base interactions energy: -116.846
where: short stacking energy: -64.062
Base-Backbone interact. energy: -0.115
local terms energy: -71.733589
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -18.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -94.146239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.146239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.146239 (E_RNA)
where:
Base-Base interactions energy: -49.070
where: short stacking energy: -27.561
Base-Backbone interact. energy: 1.084
local terms energy: -46.160082
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -10.417
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -1.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -94.810046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.810046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.810046 (E_RNA)
where:
Base-Base interactions energy: -41.082
where: short stacking energy: -32.029
Base-Backbone interact. energy: -0.051
local terms energy: -53.676433
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -5.950
tors. eta vs tors. theta energy: -6.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -74.508050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.508050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.508050 (E_RNA)
where:
Base-Base interactions energy: -22.700
where: short stacking energy: -22.326
Base-Backbone interact. energy: -0.148
local terms energy: -51.660566
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -5.059
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: 9, replica: 2
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -79.648807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.648807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.648807 (E_RNA)
where:
Base-Base interactions energy: -28.846
where: short stacking energy: -24.071
Base-Backbone interact. energy: -0.053
local terms energy: -50.749828
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -6.120
tors. eta vs tors. theta energy: -1.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -81.779618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.779618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.779618 (E_RNA)
where:
Base-Base interactions energy: -33.569
where: short stacking energy: -29.073
Base-Backbone interact. energy: -0.012
local terms energy: -48.197899
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -11.766
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -4.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -212.930151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.930151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.930151 (E_RNA)
where:
Base-Base interactions energy: -141.700
where: short stacking energy: -57.790
Base-Backbone interact. energy: -0.095
local terms energy: -71.135350
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -11.770
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -16.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -217.600636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.600636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.600636 (E_RNA)
where:
Base-Base interactions energy: -147.409
where: short stacking energy: -65.560
Base-Backbone interact. energy: 0.112
local terms energy: -70.303238
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -15.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -213.096393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.096393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.096393 (E_RNA)
where:
Base-Base interactions energy: -142.787
where: short stacking energy: -67.527
Base-Backbone interact. energy: -0.001
local terms energy: -70.309286
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -10.790
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -17.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -196.610322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.610322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.610322 (E_RNA)
where:
Base-Base interactions energy: -131.263
where: short stacking energy: -51.961
Base-Backbone interact. energy: -1.587
local terms energy: -63.760355
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -13.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -171.972233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.972233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.972233 (E_RNA)
where:
Base-Base interactions energy: -107.845
where: short stacking energy: -51.381
Base-Backbone interact. energy: -0.067
local terms energy: -64.060408
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -15.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -94.459562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.459562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.459562 (E_RNA)
where:
Base-Base interactions energy: -38.695
where: short stacking energy: -38.695
Base-Backbone interact. energy: -0.060
local terms energy: -55.704524
where:
bonds (distance) C4'-P energy: -9.879
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -9.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -102.856023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.856023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.856023 (E_RNA)
where:
Base-Base interactions energy: -56.963
where: short stacking energy: -42.324
Base-Backbone interact. energy: -0.132
local terms energy: -45.761607
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -4.631
tors. eta vs tors. theta energy: -6.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -82.637409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.637409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.637409 (E_RNA)
where:
Base-Base interactions energy: -33.293
where: short stacking energy: -32.583
Base-Backbone interact. energy: -0.006
local terms energy: -49.337992
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -7.784
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -6.509
tors. eta vs tors. theta energy: -3.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -79.023785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023785 (E_RNA)
where:
Base-Base interactions energy: -31.977
where: short stacking energy: -31.977
Base-Backbone interact. energy: -0.111
local terms energy: -46.935678
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -10.183
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -6.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -75.573553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.573553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.573553 (E_RNA)
where:
Base-Base interactions energy: -26.713
where: short stacking energy: -18.227
Base-Backbone interact. energy: 0.304
local terms energy: -49.164370
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -1.482
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: 1, replica: 5
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -225.774193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.774193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.774193 (E_RNA)
where:
Base-Base interactions energy: -148.803
where: short stacking energy: -64.020
Base-Backbone interact. energy: -0.342
local terms energy: -76.629933
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -16.097
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: 3
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -208.546895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.546895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.546895 (E_RNA)
where:
Base-Base interactions energy: -140.671
where: short stacking energy: -67.163
Base-Backbone interact. energy: -0.170
local terms energy: -67.706430
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -11.368
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -16.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -197.995802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.995802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.995802 (E_RNA)
where:
Base-Base interactions energy: -131.184
where: short stacking energy: -51.549
Base-Backbone interact. energy: 0.119
local terms energy: -66.931361
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -14.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -218.211067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.211067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.211067 (E_RNA)
where:
Base-Base interactions energy: -141.216
where: short stacking energy: -69.187
Base-Backbone interact. energy: -0.657
local terms energy: -76.338103
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -17.134
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -20.155
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: 7
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -84.613820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.613820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.613820 (E_RNA)
where:
Base-Base interactions energy: -32.747
where: short stacking energy: -31.284
Base-Backbone interact. energy: -0.069
local terms energy: -51.797447
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -3.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -137.129021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.129021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.129021 (E_RNA)
where:
Base-Base interactions energy: -77.424
where: short stacking energy: -45.049
Base-Backbone interact. energy: -0.461
local terms energy: -59.243789
where:
bonds (distance) C4'-P energy: -9.799
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -11.219
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: 2
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -86.872936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.872936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.872936 (E_RNA)
where:
Base-Base interactions energy: -25.748
where: short stacking energy: -23.843
Base-Backbone interact. energy: -1.649
local terms energy: -59.476114
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -3.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -85.564419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.564419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.564419 (E_RNA)
where:
Base-Base interactions energy: -35.648
where: short stacking energy: -35.648
Base-Backbone interact. energy: -0.096
local terms energy: -49.820609
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -6.233
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: -8.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -83.030176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.030176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.030176 (E_RNA)
where:
Base-Base interactions energy: -29.313
where: short stacking energy: -25.829
Base-Backbone interact. energy: -0.071
local terms energy: -53.646502
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -1.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -94.264633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.264633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.264633 (E_RNA)
where:
Base-Base interactions energy: -34.592
where: short stacking energy: -34.592
Base-Backbone interact. energy: -0.003
local terms energy: -59.669387
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -10.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -231.802195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.802195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.802195 (E_RNA)
where:
Base-Base interactions energy: -153.105
where: short stacking energy: -74.624
Base-Backbone interact. energy: -0.007
local terms energy: -78.690236
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -21.269
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: 2, replica: 3
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -215.622236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.622236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.622236 (E_RNA)
where:
Base-Base interactions energy: -143.534
where: short stacking energy: -67.365
Base-Backbone interact. energy: 0.542
local terms energy: -72.630153
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -17.845
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -20.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -205.761472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.761472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.761472 (E_RNA)
where:
Base-Base interactions energy: -135.108
where: short stacking energy: -54.868
Base-Backbone interact. energy: -0.002
local terms energy: -70.650732
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -14.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -205.586900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.586900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.586900 (E_RNA)
where:
Base-Base interactions energy: -134.342
where: short stacking energy: -64.025
Base-Backbone interact. energy: -0.015
local terms energy: -71.229829
where:
bonds (distance) C4'-P energy: -9.626
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -18.586
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -17.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -125.674446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.674446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.674446 (E_RNA)
where:
Base-Base interactions energy: -64.076
where: short stacking energy: -43.174
Base-Backbone interact. energy: 0.643
local terms energy: -62.241424
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -9.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -95.899163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.899163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.899163 (E_RNA)
where:
Base-Base interactions energy: -40.510
where: short stacking energy: -37.571
Base-Backbone interact. energy: -0.147
local terms energy: -55.242849
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -5.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -83.659969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.659969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.659969 (E_RNA)
where:
Base-Base interactions energy: -35.329
where: short stacking energy: -33.606
Base-Backbone interact. energy: -0.422
local terms energy: -47.909489
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -9.260
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -1.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -86.369362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.369362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.369362 (E_RNA)
where:
Base-Base interactions energy: -33.705
where: short stacking energy: -32.304
Base-Backbone interact. energy: -0.082
local terms energy: -52.582746
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -5.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -94.405103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.405103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.405103 (E_RNA)
where:
Base-Base interactions energy: -50.164
where: short stacking energy: -40.442
Base-Backbone interact. energy: -0.032
local terms energy: -44.208944
where:
bonds (distance) C4'-P energy: -10.458
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -9.954
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -4.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -70.565658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.565658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.565658 (E_RNA)
where:
Base-Base interactions energy: -33.464
where: short stacking energy: -29.615
Base-Backbone interact. energy: -0.503
local terms energy: -36.598939
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -7.134
flat angles P-C4'-P energy: -2.252
tors. eta vs tors. theta energy: 0.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -224.758062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.758062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.758062 (E_RNA)
where:
Base-Base interactions energy: -143.754
where: short stacking energy: -67.233
Base-Backbone interact. energy: -0.054
local terms energy: -80.949988
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -13.823
tors. eta vs tors. theta energy: -20.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -217.582205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.582205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.582205 (E_RNA)
where:
Base-Base interactions energy: -141.733
where: short stacking energy: -64.075
Base-Backbone interact. energy: -0.001
local terms energy: -75.847604
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -19.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -209.970292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.970292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.970292 (E_RNA)
where:
Base-Base interactions energy: -135.890
where: short stacking energy: -55.024
Base-Backbone interact. energy: -0.003
local terms energy: -74.076425
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -19.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -203.824155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.824155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.824155 (E_RNA)
where:
Base-Base interactions energy: -131.060
where: short stacking energy: -59.171
Base-Backbone interact. energy: -0.005
local terms energy: -72.758357
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -18.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -131.123229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.123229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.123229 (E_RNA)
where:
Base-Base interactions energy: -63.050
where: short stacking energy: -42.613
Base-Backbone interact. energy: -0.707
local terms energy: -67.365763
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -5.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -99.340212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.340212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.340212 (E_RNA)
where:
Base-Base interactions energy: -46.397
where: short stacking energy: -46.397
Base-Backbone interact. energy: -0.002
local terms energy: -52.941564
where:
bonds (distance) C4'-P energy: -9.079
bonds (distance) P-C4' energy: -12.628
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -9.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -87.819406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.819406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.819406 (E_RNA)
where:
Base-Base interactions energy: -26.472
where: short stacking energy: -24.972
Base-Backbone interact. energy: -0.172
local terms energy: -61.174980
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -6.795
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: 8, replica: 1
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -97.758418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.758418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.758418 (E_RNA)
where:
Base-Base interactions energy: -46.184
where: short stacking energy: -31.479
Base-Backbone interact. energy: -0.200
local terms energy: -51.374385
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -7.687
flat angles P-C4'-P energy: -4.730
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: 52
Temperature: 1.300000
Total energy: -76.226747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.226747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.226747 (E_RNA)
where:
Base-Base interactions energy: -25.790
where: short stacking energy: -19.133
Base-Backbone interact. energy: -0.299
local terms energy: -50.137992
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: 2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -84.088666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.088666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.088666 (E_RNA)
where:
Base-Base interactions energy: -31.760
where: short stacking energy: -29.503
Base-Backbone interact. energy: 0.021
local terms energy: -52.349615
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -11.253
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -219.640088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.640088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.640088 (E_RNA)
where:
Base-Base interactions energy: -147.771
where: short stacking energy: -64.854
Base-Backbone interact. energy: -0.476
local terms energy: -71.393517
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -22.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -219.304355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.304355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.304355 (E_RNA)
where:
Base-Base interactions energy: -145.047
where: short stacking energy: -70.346
Base-Backbone interact. energy: -0.015
local terms energy: -74.242026
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -21.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -209.658236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.658236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.658236 (E_RNA)
where:
Base-Base interactions energy: -137.077
where: short stacking energy: -66.059
Base-Backbone interact. energy: -0.000
local terms energy: -72.581267
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -19.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -212.498640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.498640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.498640 (E_RNA)
where:
Base-Base interactions energy: -142.319
where: short stacking energy: -57.849
Base-Backbone interact. energy: -0.001
local terms energy: -70.178877
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -15.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -118.876349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.876349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.876349 (E_RNA)
where:
Base-Base interactions energy: -64.964
where: short stacking energy: -42.138
Base-Backbone interact. energy: -0.098
local terms energy: -53.814658
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -3.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -86.737847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.737847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.737847 (E_RNA)
where:
Base-Base interactions energy: -26.642
where: short stacking energy: -26.642
Base-Backbone interact. energy: -0.069
local terms energy: -60.025990
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -6.537
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: 7, replica: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -89.636957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.636957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.636957 (E_RNA)
where:
Base-Base interactions energy: -36.363
where: short stacking energy: -30.606
Base-Backbone interact. energy: -0.096
local terms energy: -53.178150
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -6.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -94.424644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.424644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.424644 (E_RNA)
where:
Base-Base interactions energy: -37.458
where: short stacking energy: -26.907
Base-Backbone interact. energy: -0.778
local terms energy: -56.189452
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -7.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -80.588668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.588668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.588668 (E_RNA)
where:
Base-Base interactions energy: -25.133
where: short stacking energy: -25.133
Base-Backbone interact. energy: -0.189
local terms energy: -55.267468
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -3.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -84.945008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.945008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.945008 (E_RNA)
where:
Base-Base interactions energy: -34.850
where: short stacking energy: -34.850
Base-Backbone interact. energy: -0.047
local terms energy: -50.047659
where:
bonds (distance) C4'-P energy: -5.250
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -8.470
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: 4
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -221.942996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.942996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.942996 (E_RNA)
where:
Base-Base interactions energy: -143.867
where: short stacking energy: -71.882
Base-Backbone interact. energy: -0.903
local terms energy: -77.172462
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -20.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -220.115020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.115020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.115020 (E_RNA)
where:
Base-Base interactions energy: -144.765
where: short stacking energy: -68.011
Base-Backbone interact. energy: -0.003
local terms energy: -75.346955
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -17.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -200.947017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.947017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.947017 (E_RNA)
where:
Base-Base interactions energy: -130.832
where: short stacking energy: -56.856
Base-Backbone interact. energy: -0.800
local terms energy: -69.315048
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -15.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -213.403679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.403679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.403679 (E_RNA)
where:
Base-Base interactions energy: -143.600
where: short stacking energy: -68.538
Base-Backbone interact. energy: -0.048
local terms energy: -69.755501
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -17.336
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: 54
Temperature: 1.100000
Total energy: -109.885598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.885598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.885598 (E_RNA)
where:
Base-Base interactions energy: -53.155
where: short stacking energy: -37.734
Base-Backbone interact. energy: 0.277
local terms energy: -57.006903
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -6.685
tors. eta vs tors. theta energy: -10.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -86.890676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.890676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.890676 (E_RNA)
where:
Base-Base interactions energy: -36.705
where: short stacking energy: -36.597
Base-Backbone interact. energy: 0.016
local terms energy: -50.201982
where:
bonds (distance) C4'-P energy: -9.673
bonds (distance) P-C4' energy: -13.689
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -4.733
tors. eta vs tors. theta energy: -6.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -99.366890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.366890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.366890 (E_RNA)
where:
Base-Base interactions energy: -37.022
where: short stacking energy: -37.022
Base-Backbone interact. energy: -0.446
local terms energy: -61.898630
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -9.293
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: 8, replica: 7
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -101.374749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.374749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.374749 (E_RNA)
where:
Base-Base interactions energy: -43.197
where: short stacking energy: -35.923
Base-Backbone interact. energy: -0.087
local terms energy: -58.091118
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: -6.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -82.867898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.867898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.867898 (E_RNA)
where:
Base-Base interactions energy: -28.588
where: short stacking energy: -27.459
Base-Backbone interact. energy: -0.168
local terms energy: -54.111999
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -3.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -75.531906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.531906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.531906 (E_RNA)
where:
Base-Base interactions energy: -34.698
where: short stacking energy: -16.403
Base-Backbone interact. energy: -0.293
local terms energy: -40.540677
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -9.256
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: 4.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -216.666520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.666520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.666520 (E_RNA)
where:
Base-Base interactions energy: -141.192
where: short stacking energy: -62.107
Base-Backbone interact. energy: -0.084
local terms energy: -75.390378
where:
bonds (distance) C4'-P energy: -17.878
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -13.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -214.206571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.206571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.206571 (E_RNA)
where:
Base-Base interactions energy: -143.744
where: short stacking energy: -63.765
Base-Backbone interact. energy: -0.262
local terms energy: -70.201009
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -17.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -219.318464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.318464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.318464 (E_RNA)
where:
Base-Base interactions energy: -150.093
where: short stacking energy: -66.370
Base-Backbone interact. energy: -0.298
local terms energy: -68.926942
where:
bonds (distance) C4'-P energy: -9.358
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -17.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -196.121962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.121962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.121962 (E_RNA)
where:
Base-Base interactions energy: -123.490
where: short stacking energy: -55.414
Base-Backbone interact. energy: -0.018
local terms energy: -72.614067
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -18.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -100.152611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.152611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.152611 (E_RNA)
where:
Base-Base interactions energy: -35.993
where: short stacking energy: -31.233
Base-Backbone interact. energy: -0.117
local terms energy: -64.042651
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -8.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -94.856817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.856817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.856817 (E_RNA)
where:
Base-Base interactions energy: -42.240
where: short stacking energy: -33.527
Base-Backbone interact. energy: 2.491
local terms energy: -55.107676
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -11.098
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -4.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -96.658130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.658130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.658130 (E_RNA)
where:
Base-Base interactions energy: -38.370
where: short stacking energy: -27.014
Base-Backbone interact. energy: -0.364
local terms energy: -57.924127
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -2.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -82.460400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.460400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.460400 (E_RNA)
where:
Base-Base interactions energy: -25.702
where: short stacking energy: -12.008
Base-Backbone interact. energy: 0.156
local terms energy: -56.914610
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -4.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -79.567718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.567718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.567718 (E_RNA)
where:
Base-Base interactions energy: -32.945
where: short stacking energy: -27.543
Base-Backbone interact. energy: -0.369
local terms energy: -46.253622
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -9.721
flat angles P-C4'-P energy: -5.572
tors. eta vs tors. theta energy: -0.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -85.119037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.119037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.119037 (E_RNA)
where:
Base-Base interactions energy: -38.044
where: short stacking energy: -18.973
Base-Backbone interact. energy: 1.044
local terms energy: -48.119039
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: 0.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -213.947845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.947845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.947845 (E_RNA)
where:
Base-Base interactions energy: -136.958
where: short stacking energy: -54.893
Base-Backbone interact. energy: -0.109
local terms energy: -76.881318
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -17.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -218.857883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.857883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.857883 (E_RNA)
where:
Base-Base interactions energy: -150.510
where: short stacking energy: -71.807
Base-Backbone interact. energy: -0.008
local terms energy: -68.340043
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -19.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -214.301619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.301619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.301619 (E_RNA)
where:
Base-Base interactions energy: -139.932
where: short stacking energy: -69.001
Base-Backbone interact. energy: -0.001
local terms energy: -74.369154
where:
bonds (distance) C4'-P energy: -11.401
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -13.748
tors. eta vs tors. theta energy: -19.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -218.325219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.325219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.325219 (E_RNA)
where:
Base-Base interactions energy: -144.685
where: short stacking energy: -69.494
Base-Backbone interact. energy: -0.070
local terms energy: -73.569674
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -22.306
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: 8
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -114.148779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.148779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.148779 (E_RNA)
where:
Base-Base interactions energy: -58.293
where: short stacking energy: -45.296
Base-Backbone interact. energy: -0.017
local terms energy: -55.839049
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -10.629
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: 2
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -92.923342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.923342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.923342 (E_RNA)
where:
Base-Base interactions energy: -45.111
where: short stacking energy: -28.348
Base-Backbone interact. energy: -0.318
local terms energy: -47.494753
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -10.055
flat angles C4'-P-C4' energy: -10.347
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -5.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -86.817226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.817226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.817226 (E_RNA)
where:
Base-Base interactions energy: -37.425
where: short stacking energy: -21.257
Base-Backbone interact. energy: 0.360
local terms energy: -49.752393
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -9.715
flat angles P-C4'-P energy: -7.812
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: 8, replica: 9
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -89.849607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.849607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.849607 (E_RNA)
where:
Base-Base interactions energy: -37.243
where: short stacking energy: -31.509
Base-Backbone interact. energy: -0.221
local terms energy: -52.385137
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -9.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -85.313303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.313303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.313303 (E_RNA)
where:
Base-Base interactions energy: -43.839
where: short stacking energy: -25.429
Base-Backbone interact. energy: -0.170
local terms energy: -41.304626
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -10.105
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: 1.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -77.997931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.997931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.997931 (E_RNA)
where:
Base-Base interactions energy: -36.035
where: short stacking energy: -33.624
Base-Backbone interact. energy: 0.579
local terms energy: -42.541307
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -9.135
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -2.155
tors. eta vs tors. theta energy: -4.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -210.875628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.875628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.875628 (E_RNA)
where:
Base-Base interactions energy: -136.373
where: short stacking energy: -58.740
Base-Backbone interact. energy: -0.143
local terms energy: -74.359255
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -19.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -220.520426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.520426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.520426 (E_RNA)
where:
Base-Base interactions energy: -141.502
where: short stacking energy: -64.800
Base-Backbone interact. energy: -0.008
local terms energy: -79.010450
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -17.592
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -21.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -217.414384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.414384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.414384 (E_RNA)
where:
Base-Base interactions energy: -140.707
where: short stacking energy: -64.169
Base-Backbone interact. energy: -0.100
local terms energy: -76.607061
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -22.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -206.235063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.235063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.235063 (E_RNA)
where:
Base-Base interactions energy: -136.569
where: short stacking energy: -62.967
Base-Backbone interact. energy: 0.204
local terms energy: -69.870451
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -18.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -92.139177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.139177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.139177 (E_RNA)
where:
Base-Base interactions energy: -38.765
where: short stacking energy: -37.341
Base-Backbone interact. energy: -0.220
local terms energy: -53.153671
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -6.312
tors. eta vs tors. theta energy: -4.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -90.748454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.748454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.748454 (E_RNA)
where:
Base-Base interactions energy: -39.794
where: short stacking energy: -34.016
Base-Backbone interact. energy: 0.285
local terms energy: -51.239329
where:
bonds (distance) C4'-P energy: -8.233
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -6.251
tors. eta vs tors. theta energy: -7.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -157.912823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.912823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.912823 (E_RNA)
where:
Base-Base interactions energy: -114.808
where: short stacking energy: -47.843
Base-Backbone interact. energy: 0.389
local terms energy: -43.493914
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -9.665
flat angles C4'-P-C4' energy: -4.630
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: -8.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -78.421300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.421300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.421300 (E_RNA)
where:
Base-Base interactions energy: -26.604
where: short stacking energy: -26.604
Base-Backbone interact. energy: -0.808
local terms energy: -51.008827
where:
bonds (distance) C4'-P energy: -6.948
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -8.033
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: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -82.444753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.444753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.444753 (E_RNA)
where:
Base-Base interactions energy: -32.183
where: short stacking energy: -28.038
Base-Backbone interact. energy: -0.086
local terms energy: -50.174938
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -11.448
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -0.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -80.123963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.123963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.123963 (E_RNA)
where:
Base-Base interactions energy: -37.797
where: short stacking energy: -24.640
Base-Backbone interact. energy: -0.033
local terms energy: -42.294396
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -9.913
flat angles C4'-P-C4' energy: -11.155
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -3.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -216.585825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.585825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.585825 (E_RNA)
where:
Base-Base interactions energy: -140.899
where: short stacking energy: -61.413
Base-Backbone interact. energy: -1.127
local terms energy: -74.559235
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -11.460
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -21.748
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: 58
Temperature: 0.950000
Total energy: -222.628228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.628228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.628228 (E_RNA)
where:
Base-Base interactions energy: -142.237
where: short stacking energy: -64.199
Base-Backbone interact. energy: -0.012
local terms energy: -80.378708
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -20.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -210.148081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.148081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.148081 (E_RNA)
where:
Base-Base interactions energy: -136.979
where: short stacking energy: -59.753
Base-Backbone interact. energy: -0.047
local terms energy: -73.121758
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: -19.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -222.614802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.614802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.614802 (E_RNA)
where:
Base-Base interactions energy: -152.449
where: short stacking energy: -63.441
Base-Backbone interact. energy: -0.009
local terms energy: -70.157384
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -16.311
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: 10
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -118.077874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.077874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.077874 (E_RNA)
where:
Base-Base interactions energy: -54.781
where: short stacking energy: -42.617
Base-Backbone interact. energy: 2.084
local terms energy: -65.381317
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -11.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -101.510838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.510838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.510838 (E_RNA)
where:
Base-Base interactions energy: -43.715
where: short stacking energy: -37.816
Base-Backbone interact. energy: -0.083
local terms energy: -57.713135
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -3.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -144.921282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.921282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.921282 (E_RNA)
where:
Base-Base interactions energy: -98.506
where: short stacking energy: -35.017
Base-Backbone interact. energy: 1.382
local terms energy: -47.797604
where:
bonds (distance) C4'-P energy: -5.865
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -4.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -80.790690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.790690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.790690 (E_RNA)
where:
Base-Base interactions energy: -33.432
where: short stacking energy: -33.432
Base-Backbone interact. energy: -0.161
local terms energy: -47.197592
where:
bonds (distance) C4'-P energy: -7.469
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -4.413
tors. eta vs tors. theta energy: -3.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -81.688851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.688851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.688851 (E_RNA)
where:
Base-Base interactions energy: -44.156
where: short stacking energy: -21.633
Base-Backbone interact. energy: 0.515
local terms energy: -38.048176
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -10.869
flat angles C4'-P-C4' energy: -9.994
flat angles P-C4'-P energy: -6.805
tors. eta vs tors. theta energy: 3.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -86.107610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.107610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.107610 (E_RNA)
where:
Base-Base interactions energy: -39.091
where: short stacking energy: -26.111
Base-Backbone interact. energy: -0.734
local terms energy: -46.282199
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -8.723
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -1.496
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: 6
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -218.652443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.652443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.652443 (E_RNA)
where:
Base-Base interactions energy: -148.169
where: short stacking energy: -63.671
Base-Backbone interact. energy: -0.120
local terms energy: -70.364122
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -18.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -215.200430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.200430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.200430 (E_RNA)
where:
Base-Base interactions energy: -142.337
where: short stacking energy: -62.613
Base-Backbone interact. energy: -0.170
local terms energy: -72.693406
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -22.435
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: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -213.197222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.197222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.197222 (E_RNA)
where:
Base-Base interactions energy: -146.275
where: short stacking energy: -66.457
Base-Backbone interact. energy: 0.692
local terms energy: -67.613742
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -9.700
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -18.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -221.821941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.821941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.821941 (E_RNA)
where:
Base-Base interactions energy: -149.855
where: short stacking energy: -66.964
Base-Backbone interact. energy: -0.019
local terms energy: -71.948860
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -5.802
tors. eta vs tors. theta energy: -20.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -127.785166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.785166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.785166 (E_RNA)
where:
Base-Base interactions energy: -69.985
where: short stacking energy: -38.080
Base-Backbone interact. energy: -0.068
local terms energy: -57.731848
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -5.221
tors. eta vs tors. theta energy: -7.790
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: 2
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -97.447939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.447939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.447939 (E_RNA)
where:
Base-Base interactions energy: -42.377
where: short stacking energy: -27.603
Base-Backbone interact. energy: -0.455
local terms energy: -54.616031
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -10.842
flat angles P-C4'-P energy: -9.268
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: 7, replica: 8
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -88.630168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.630168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.630168 (E_RNA)
where:
Base-Base interactions energy: -30.249
where: short stacking energy: -24.571
Base-Backbone interact. energy: -0.031
local terms energy: -58.350830
where:
bonds (distance) C4'-P energy: -10.967
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -5.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -90.114208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.114208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.114208 (E_RNA)
where:
Base-Base interactions energy: -49.822
where: short stacking energy: -17.389
Base-Backbone interact. energy: -0.001
local terms energy: -40.291396
where:
bonds (distance) C4'-P energy: -10.539
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: 2.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -95.973173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.973173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.973173 (E_RNA)
where:
Base-Base interactions energy: -49.149
where: short stacking energy: -31.989
Base-Backbone interact. energy: -0.512
local terms energy: -46.312821
where:
bonds (distance) C4'-P energy: -6.244
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -4.344
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: -74.665588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.665588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.665588 (E_RNA)
where:
Base-Base interactions energy: -29.432
where: short stacking energy: -26.918
Base-Backbone interact. energy: -0.013
local terms energy: -45.220461
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -9.894
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -1.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -224.465226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.465226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.465226 (E_RNA)
where:
Base-Base interactions energy: -154.200
where: short stacking energy: -70.030
Base-Backbone interact. energy: -0.015
local terms energy: -70.250125
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -16.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -215.150951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.150951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.150951 (E_RNA)
where:
Base-Base interactions energy: -142.909
where: short stacking energy: -64.813
Base-Backbone interact. energy: -0.099
local terms energy: -72.142522
where:
bonds (distance) C4'-P energy: -8.519
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -22.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -216.197634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.197634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.197634 (E_RNA)
where:
Base-Base interactions energy: -142.020
where: short stacking energy: -69.582
Base-Backbone interact. energy: -0.081
local terms energy: -74.096550
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -11.782
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -19.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -218.999186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.999186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.999186 (E_RNA)
where:
Base-Base interactions energy: -142.522
where: short stacking energy: -66.556
Base-Backbone interact. energy: -0.076
local terms energy: -76.401662
where:
bonds (distance) C4'-P energy: -9.965
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -20.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -121.831297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.831297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.831297 (E_RNA)
where:
Base-Base interactions energy: -61.978
where: short stacking energy: -40.226
Base-Backbone interact. energy: -0.184
local terms energy: -59.669603
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -11.980
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -11.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -105.258813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.258813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.258813 (E_RNA)
where:
Base-Base interactions energy: -48.399
where: short stacking energy: -39.319
Base-Backbone interact. energy: 0.047
local terms energy: -56.906775
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -5.970
tors. eta vs tors. theta energy: -11.687
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: 8
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -96.337837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.337837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.337837 (E_RNA)
where:
Base-Base interactions energy: -41.845
where: short stacking energy: -33.814
Base-Backbone interact. energy: -0.251
local terms energy: -54.242207
where:
bonds (distance) C4'-P energy: -8.997
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -3.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -90.450594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.450594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.450594 (E_RNA)
where:
Base-Base interactions energy: -29.701
where: short stacking energy: -27.716
Base-Backbone interact. energy: -1.317
local terms energy: -59.432134
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -5.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -73.916617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.916617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.916617 (E_RNA)
where:
Base-Base interactions energy: -27.236
where: short stacking energy: -19.032
Base-Backbone interact. energy: 2.050
local terms energy: -48.730139
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -11.426
flat angles C4'-P-C4' energy: -8.856
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -5.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -73.467256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.467256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.467256 (E_RNA)
where:
Base-Base interactions energy: -22.658
where: short stacking energy: -8.014
Base-Backbone interact. energy: -0.283
local terms energy: -50.526234
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -10.866
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: 1.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -224.320101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.320101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.320101 (E_RNA)
where:
Base-Base interactions energy: -153.343
where: short stacking energy: -68.482
Base-Backbone interact. energy: -0.003
local terms energy: -70.974156
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -16.810
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -17.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -223.180960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.180960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.180960 (E_RNA)
where:
Base-Base interactions energy: -146.707
where: short stacking energy: -70.796
Base-Backbone interact. energy: -0.006
local terms energy: -76.467877
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -20.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -200.955604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.955604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.955604 (E_RNA)
where:
Base-Base interactions energy: -135.364
where: short stacking energy: -56.509
Base-Backbone interact. energy: -0.201
local terms energy: -65.390876
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -14.599
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: 3
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -210.686143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.686143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.686143 (E_RNA)
where:
Base-Base interactions energy: -135.311
where: short stacking energy: -57.425
Base-Backbone interact. energy: -0.132
local terms energy: -75.243235
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -16.684
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: 2
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -108.983997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.983997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.983997 (E_RNA)
where:
Base-Base interactions energy: -51.886
where: short stacking energy: -29.207
Base-Backbone interact. energy: -0.268
local terms energy: -56.829525
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -4.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -93.214958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.214958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.214958 (E_RNA)
where:
Base-Base interactions energy: -31.497
where: short stacking energy: -28.691
Base-Backbone interact. energy: -0.015
local terms energy: -61.702570
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -5.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -87.810036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.810036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.810036 (E_RNA)
where:
Base-Base interactions energy: -32.742
where: short stacking energy: -30.704
Base-Backbone interact. energy: 0.424
local terms energy: -55.492376
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -3.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -100.829581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.829581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.829581 (E_RNA)
where:
Base-Base interactions energy: -37.219
where: short stacking energy: -34.564
Base-Backbone interact. energy: -0.243
local terms energy: -63.368187
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -2.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -71.828631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.828631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.828631 (E_RNA)
where:
Base-Base interactions energy: -22.625
where: short stacking energy: -22.422
Base-Backbone interact. energy: -0.231
local terms energy: -48.972372
where:
bonds (distance) C4'-P energy: -9.011
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -5.658
tors. eta vs tors. theta energy: -4.495
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: 10, replica: 1
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -79.531428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.531428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.531428 (E_RNA)
where:
Base-Base interactions energy: -27.975
where: short stacking energy: -23.096
Base-Backbone interact. energy: 0.833
local terms energy: -52.388904
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -11.775
flat angles P-C4'-P energy: -5.565
tors. eta vs tors. theta energy: -5.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -225.690524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.690524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.690524 (E_RNA)
where:
Base-Base interactions energy: -151.638
where: short stacking energy: -62.585
Base-Backbone interact. energy: -0.106
local terms energy: -73.946021
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -20.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -219.002652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.002652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.002652 (E_RNA)
where:
Base-Base interactions energy: -145.895
where: short stacking energy: -64.441
Base-Backbone interact. energy: 0.348
local terms energy: -73.455425
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -13.935
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -17.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -211.263966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.263966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.263966 (E_RNA)
where:
Base-Base interactions energy: -133.657
where: short stacking energy: -61.868
Base-Backbone interact. energy: -0.048
local terms energy: -77.558612
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -18.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -200.264609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.264609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.264609 (E_RNA)
where:
Base-Base interactions energy: -134.628
where: short stacking energy: -69.350
Base-Backbone interact. energy: -0.020
local terms energy: -65.616502
where:
bonds (distance) C4'-P energy: -10.991
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -12.911
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -104.407069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.407069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.407069 (E_RNA)
where:
Base-Base interactions energy: -42.878
where: short stacking energy: -42.878
Base-Backbone interact. energy: -0.710
local terms energy: -60.818629
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -7.870
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: 6, replica: 2
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -99.858139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.858139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.858139 (E_RNA)
where:
Base-Base interactions energy: -41.210
where: short stacking energy: -40.947
Base-Backbone interact. energy: -0.271
local terms energy: -58.377567
where:
bonds (distance) C4'-P energy: -8.979
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -5.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -92.487199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.487199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.487199 (E_RNA)
where:
Base-Base interactions energy: -45.448
where: short stacking energy: -34.095
Base-Backbone interact. energy: -0.077
local terms energy: -46.961817
where:
bonds (distance) C4'-P energy: -8.096
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -2.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -80.268775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.268775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.268775 (E_RNA)
where:
Base-Base interactions energy: -34.219
where: short stacking energy: -33.777
Base-Backbone interact. energy: -0.011
local terms energy: -46.039023
where:
bonds (distance) C4'-P energy: -9.930
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -3.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -76.697511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.697511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.697511 (E_RNA)
where:
Base-Base interactions energy: -24.364
where: short stacking energy: -21.570
Base-Backbone interact. energy: -0.183
local terms energy: -52.150692
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -8.956
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -0.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -76.307058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.307058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.307058 (E_RNA)
where:
Base-Base interactions energy: -28.244
where: short stacking energy: -20.295
Base-Backbone interact. energy: -0.373
local terms energy: -47.690015
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -10.526
flat angles P-C4'-P energy: -6.076
tors. eta vs tors. theta energy: 0.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -227.322180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.322180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.322180 (E_RNA)
where:
Base-Base interactions energy: -149.691
where: short stacking energy: -63.976
Base-Backbone interact. energy: -0.609
local terms energy: -77.021885
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -16.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -216.118920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.118920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.118920 (E_RNA)
where:
Base-Base interactions energy: -141.528
where: short stacking energy: -60.794
Base-Backbone interact. energy: -0.058
local terms energy: -74.533085
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -10.313
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: 3, replica: 3
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -216.070922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.070922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.070922 (E_RNA)
where:
Base-Base interactions energy: -150.023
where: short stacking energy: -69.099
Base-Backbone interact. energy: -0.571
local terms energy: -65.477109
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -10.760
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -5.217
tors. eta vs tors. theta energy: -18.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -205.859409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.859409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.859409 (E_RNA)
where:
Base-Base interactions energy: -134.249
where: short stacking energy: -65.005
Base-Backbone interact. energy: 3.354
local terms energy: -74.964622
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -19.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -97.534428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.534428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.534428 (E_RNA)
where:
Base-Base interactions energy: -39.505
where: short stacking energy: -39.505
Base-Backbone interact. energy: -0.149
local terms energy: -57.879812
where:
bonds (distance) C4'-P energy: -8.862
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -9.287
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: 2
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -99.042841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.042841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.042841 (E_RNA)
where:
Base-Base interactions energy: -42.500
where: short stacking energy: -42.500
Base-Backbone interact. energy: -0.149
local terms energy: -56.394182
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -8.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -105.873815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.873815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.873815 (E_RNA)
where:
Base-Base interactions energy: -55.398
where: short stacking energy: -27.545
Base-Backbone interact. energy: -0.223
local terms energy: -50.252349
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -5.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -76.992684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.992684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.992684 (E_RNA)
where:
Base-Base interactions energy: -30.983
where: short stacking energy: -30.839
Base-Backbone interact. energy: 1.593
local terms energy: -47.601921
where:
bonds (distance) C4'-P energy: -7.660
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -2.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -86.001258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.001258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.001258 (E_RNA)
where:
Base-Base interactions energy: -41.992
where: short stacking energy: -17.923
Base-Backbone interact. energy: -0.189
local terms energy: -43.821124
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -8.831
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: 2.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -72.176800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.176800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.176800 (E_RNA)
where:
Base-Base interactions energy: -30.553
where: short stacking energy: -26.354
Base-Backbone interact. energy: -1.731
local terms energy: -39.892324
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -9.215
flat angles C4'-P-C4' energy: -6.540
flat angles P-C4'-P energy: -6.208
tors. eta vs tors. theta energy: -4.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -220.043411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.043411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.043411 (E_RNA)
where:
Base-Base interactions energy: -139.157
where: short stacking energy: -66.849
Base-Backbone interact. energy: 0.056
local terms energy: -80.942148
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -22.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -211.378052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.378052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.378052 (E_RNA)
where:
Base-Base interactions energy: -141.461
where: short stacking energy: -58.203
Base-Backbone interact. energy: -0.342
local terms energy: -69.576006
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -5.181
tors. eta vs tors. theta energy: -17.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -206.954451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.954451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.954451 (E_RNA)
where:
Base-Base interactions energy: -133.028
where: short stacking energy: -62.444
Base-Backbone interact. energy: -0.416
local terms energy: -73.510696
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -19.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -203.009939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.009939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.009939 (E_RNA)
where:
Base-Base interactions energy: -134.164
where: short stacking energy: -58.961
Base-Backbone interact. energy: -0.649
local terms energy: -68.197169
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -18.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -92.127510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.127510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.127510 (E_RNA)
where:
Base-Base interactions energy: -31.563
where: short stacking energy: -29.382
Base-Backbone interact. energy: -0.024
local terms energy: -60.540399
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -11.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -106.429806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.429806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.429806 (E_RNA)
where:
Base-Base interactions energy: -40.267
where: short stacking energy: -31.572
Base-Backbone interact. energy: -0.097
local terms energy: -66.066001
where:
bonds (distance) C4'-P energy: -9.728
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -13.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -93.250126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.250126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.250126 (E_RNA)
where:
Base-Base interactions energy: -46.756
where: short stacking energy: -36.628
Base-Backbone interact. energy: 0.283
local terms energy: -46.777295
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -0.878
tors. eta vs tors. theta energy: -4.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -88.504832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.504832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.504832 (E_RNA)
where:
Base-Base interactions energy: -30.117
where: short stacking energy: -23.844
Base-Backbone interact. energy: -0.040
local terms energy: -58.348514
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -4.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -74.549503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.549503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.549503 (E_RNA)
where:
Base-Base interactions energy: -32.295
where: short stacking energy: -21.378
Base-Backbone interact. energy: -0.380
local terms energy: -41.875349
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -10.153
flat angles C4'-P-C4' energy: -8.430
flat angles P-C4'-P energy: -4.527
tors. eta vs tors. theta energy: -2.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -73.294376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.294376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.294376 (E_RNA)
where:
Base-Base interactions energy: -29.521
where: short stacking energy: -24.215
Base-Backbone interact. energy: -0.109
local terms energy: -43.664342
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -11.146
flat angles C4'-P-C4' energy: -10.284
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -3.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -232.244497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.244497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.244497 (E_RNA)
where:
Base-Base interactions energy: -150.572
where: short stacking energy: -71.074
Base-Backbone interact. energy: -0.016
local terms energy: -81.656073
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -19.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -222.612509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.612509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.612509 (E_RNA)
where:
Base-Base interactions energy: -149.647
where: short stacking energy: -70.123
Base-Backbone interact. energy: -0.004
local terms energy: -72.961029
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -19.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -209.858608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.858608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.858608 (E_RNA)
where:
Base-Base interactions energy: -136.843
where: short stacking energy: -59.479
Base-Backbone interact. energy: 0.339
local terms energy: -73.354980
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -15.190
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: 6
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -197.593984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.593984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.593984 (E_RNA)
where:
Base-Base interactions energy: -129.842
where: short stacking energy: -62.430
Base-Backbone interact. energy: -0.001
local terms energy: -67.751439
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -16.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -107.874311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.874311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.874311 (E_RNA)
where:
Base-Base interactions energy: -45.883
where: short stacking energy: -35.923
Base-Backbone interact. energy: -0.002
local terms energy: -61.989366
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -10.677
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: 6, replica: 8
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -97.389672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.389672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.389672 (E_RNA)
where:
Base-Base interactions energy: -40.363
where: short stacking energy: -40.176
Base-Backbone interact. energy: 0.530
local terms energy: -57.556839
where:
bonds (distance) C4'-P energy: -8.397
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -8.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -94.497394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.497394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.497394 (E_RNA)
where:
Base-Base interactions energy: -40.107
where: short stacking energy: -40.107
Base-Backbone interact. energy: -0.008
local terms energy: -54.382960
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -10.600
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -8.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -84.840228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.840228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.840228 (E_RNA)
where:
Base-Base interactions energy: -31.114
where: short stacking energy: -27.169
Base-Backbone interact. energy: -0.055
local terms energy: -53.671024
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -3.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -81.203067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.203067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.203067 (E_RNA)
where:
Base-Base interactions energy: -31.423
where: short stacking energy: -31.423
Base-Backbone interact. energy: -0.178
local terms energy: -49.601812
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -8.245
flat angles P-C4'-P energy: -11.076
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: 1
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -73.524978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.524978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.524978 (E_RNA)
where:
Base-Base interactions energy: -23.523
where: short stacking energy: -23.523
Base-Backbone interact. energy: 0.714
local terms energy: -50.715668
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -14.233
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: -4.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -231.842848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.842848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.842848 (E_RNA)
where:
Base-Base interactions energy: -153.615
where: short stacking energy: -67.362
Base-Backbone interact. energy: -0.004
local terms energy: -78.224725
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -20.633
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: 4
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -221.566028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.566028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.566028 (E_RNA)
where:
Base-Base interactions energy: -146.304
where: short stacking energy: -59.239
Base-Backbone interact. energy: -0.171
local terms energy: -75.091091
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -18.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -208.522811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.522811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.522811 (E_RNA)
where:
Base-Base interactions energy: -134.369
where: short stacking energy: -71.152
Base-Backbone interact. energy: -0.004
local terms energy: -74.150164
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -19.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -196.517965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.517965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.517965 (E_RNA)
where:
Base-Base interactions energy: -132.138
where: short stacking energy: -62.151
Base-Backbone interact. energy: -0.038
local terms energy: -64.341405
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -10.323
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -16.270
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: 5, replica: 2
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -131.094368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.094368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.094368 (E_RNA)
where:
Base-Base interactions energy: -77.594
where: short stacking energy: -44.730
Base-Backbone interact. energy: -0.308
local terms energy: -53.191506
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -9.627
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: -5.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -104.037310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.037310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.037310 (E_RNA)
where:
Base-Base interactions energy: -41.073
where: short stacking energy: -33.230
Base-Backbone interact. energy: -0.138
local terms energy: -62.826605
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -6.257
tors. eta vs tors. theta energy: -9.300
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: 7, replica: 9
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -79.652378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.652378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.652378 (E_RNA)
where:
Base-Base interactions energy: -30.843
where: short stacking energy: -27.684
Base-Backbone interact. energy: -0.149
local terms energy: -48.661000
where:
bonds (distance) C4'-P energy: -10.225
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: 0.767
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: 10
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -83.762415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.762415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.762415 (E_RNA)
where:
Base-Base interactions energy: -38.590
where: short stacking energy: -27.377
Base-Backbone interact. energy: 0.813
local terms energy: -45.985363
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -5.277
tors. eta vs tors. theta energy: 1.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -87.548367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.548367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.548367 (E_RNA)
where:
Base-Base interactions energy: -31.655
where: short stacking energy: -31.655
Base-Backbone interact. energy: -0.013
local terms energy: -55.879827
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -11.619
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -6.778
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: 7
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -82.353429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.353429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.353429 (E_RNA)
where:
Base-Base interactions energy: -26.657
where: short stacking energy: -27.128
Base-Backbone interact. energy: -0.231
local terms energy: -55.465300
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -226.442987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.442987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.442987 (E_RNA)
where:
Base-Base interactions energy: -147.905
where: short stacking energy: -67.123
Base-Backbone interact. energy: -0.068
local terms energy: -78.469824
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -22.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -203.533445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.533445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.533445 (E_RNA)
where:
Base-Base interactions energy: -131.717
where: short stacking energy: -62.455
Base-Backbone interact. energy: -0.050
local terms energy: -71.766626
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -16.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -209.979901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.979901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.979901 (E_RNA)
where:
Base-Base interactions energy: -139.433
where: short stacking energy: -61.431
Base-Backbone interact. energy: 1.056
local terms energy: -71.602411
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -20.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -195.655210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.655210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.655210 (E_RNA)
where:
Base-Base interactions energy: -129.216
where: short stacking energy: -54.492
Base-Backbone interact. energy: -0.186
local terms energy: -66.253363
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -17.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -195.898956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.898956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.898956 (E_RNA)
where:
Base-Base interactions energy: -134.979
where: short stacking energy: -42.444
Base-Backbone interact. energy: -0.111
local terms energy: -60.808580
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -10.314
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: 6, replica: 8
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -91.471142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.471142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.471142 (E_RNA)
where:
Base-Base interactions energy: -39.051
where: short stacking energy: -25.137
Base-Backbone interact. energy: 0.177
local terms energy: -52.596839
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -7.631
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: 7, replica: 9
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -81.764210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.764210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.764210 (E_RNA)
where:
Base-Base interactions energy: -27.163
where: short stacking energy: -18.092
Base-Backbone interact. energy: 0.311
local terms energy: -54.912386
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -4.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -90.213814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.213814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.213814 (E_RNA)
where:
Base-Base interactions energy: -50.538
where: short stacking energy: -28.123
Base-Backbone interact. energy: -0.186
local terms energy: -39.489764
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -12.478
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -3.556
tors. eta vs tors. theta energy: 1.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -77.327097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.327097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.327097 (E_RNA)
where:
Base-Base interactions energy: -30.651
where: short stacking energy: -30.651
Base-Backbone interact. energy: -0.231
local terms energy: -46.445653
where:
bonds (distance) C4'-P energy: -7.591
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -9.720
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -6.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -80.389344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.389344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.389344 (E_RNA)
where:
Base-Base interactions energy: -28.721
where: short stacking energy: -23.569
Base-Backbone interact. energy: -0.042
local terms energy: -51.625627
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -4.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -219.922239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.922239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.922239 (E_RNA)
where:
Base-Base interactions energy: -139.842
where: short stacking energy: -62.555
Base-Backbone interact. energy: -0.030
local terms energy: -80.049777
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -19.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -215.717369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.717369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.717369 (E_RNA)
where:
Base-Base interactions energy: -140.753
where: short stacking energy: -69.000
Base-Backbone interact. energy: -0.013
local terms energy: -74.951665
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -18.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -209.658694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.658694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.658694 (E_RNA)
where:
Base-Base interactions energy: -137.442
where: short stacking energy: -58.155
Base-Backbone interact. energy: 0.416
local terms energy: -72.632853
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -19.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -204.208296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.208296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.208296 (E_RNA)
where:
Base-Base interactions energy: -132.354
where: short stacking energy: -68.920
Base-Backbone interact. energy: -0.032
local terms energy: -71.822298
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -17.719
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: 2
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -187.991639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.991639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.991639 (E_RNA)
where:
Base-Base interactions energy: -131.972
where: short stacking energy: -52.780
Base-Backbone interact. energy: 3.254
local terms energy: -59.273230
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -11.237
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -9.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -106.034730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.034730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.034730 (E_RNA)
where:
Base-Base interactions energy: -50.998
where: short stacking energy: -34.457
Base-Backbone interact. energy: 1.132
local terms energy: -56.169656
where:
bonds (distance) C4'-P energy: -9.317
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -8.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -87.008631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.008631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.008631 (E_RNA)
where:
Base-Base interactions energy: -27.277
where: short stacking energy: -27.277
Base-Backbone interact. energy: -0.719
local terms energy: -59.012858
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -5.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -90.865128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.865128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.865128 (E_RNA)
where:
Base-Base interactions energy: -33.583
where: short stacking energy: -29.827
Base-Backbone interact. energy: -0.607
local terms energy: -56.675458
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -5.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -95.838858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.838858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.838858 (E_RNA)
where:
Base-Base interactions energy: -45.619
where: short stacking energy: -45.619
Base-Backbone interact. energy: -0.023
local terms energy: -50.195992
where:
bonds (distance) C4'-P energy: -8.820
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -9.332
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -7.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -81.872575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.872575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.872575 (E_RNA)
where:
Base-Base interactions energy: -31.774
where: short stacking energy: -28.014
Base-Backbone interact. energy: -0.205
local terms energy: -49.893964
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -7.548
flat angles P-C4'-P energy: -6.640
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: 3
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -229.660360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.660360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.660360 (E_RNA)
where:
Base-Base interactions energy: -154.626
where: short stacking energy: -68.006
Base-Backbone interact. energy: -0.012
local terms energy: -75.022362
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -19.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -218.940059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.940059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.940059 (E_RNA)
where:
Base-Base interactions energy: -138.320
where: short stacking energy: -69.412
Base-Backbone interact. energy: -0.193
local terms energy: -80.427830
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: -20.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -208.122957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.122957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.122957 (E_RNA)
where:
Base-Base interactions energy: -142.008
where: short stacking energy: -50.295
Base-Backbone interact. energy: -2.060
local terms energy: -64.054926
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -12.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -190.708470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.708470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.708470 (E_RNA)
where:
Base-Base interactions energy: -122.139
where: short stacking energy: -40.737
Base-Backbone interact. energy: -0.910
local terms energy: -67.659514
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -9.858
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -12.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -195.677550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.677550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.677550 (E_RNA)
where:
Base-Base interactions energy: -124.059
where: short stacking energy: -53.047
Base-Backbone interact. energy: -0.198
local terms energy: -71.420480
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -19.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -109.746783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.746783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.746783 (E_RNA)
where:
Base-Base interactions energy: -53.935
where: short stacking energy: -35.887
Base-Backbone interact. energy: -0.312
local terms energy: -55.500615
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -2.527
tors. eta vs tors. theta energy: -9.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -93.106159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.106159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.106159 (E_RNA)
where:
Base-Base interactions energy: -36.369
where: short stacking energy: -32.740
Base-Backbone interact. energy: -0.041
local terms energy: -56.695850
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -7.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -80.349643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.349643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.349643 (E_RNA)
where:
Base-Base interactions energy: -35.401
where: short stacking energy: -18.364
Base-Backbone interact. energy: -0.094
local terms energy: -44.854187
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -4.634
tors. eta vs tors. theta energy: -1.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -87.577697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.577697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.577697 (E_RNA)
where:
Base-Base interactions energy: -44.995
where: short stacking energy: -20.648
Base-Backbone interact. energy: -0.361
local terms energy: -42.221832
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -7.232
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: 2.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -76.144231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.144231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.144231 (E_RNA)
where:
Base-Base interactions energy: -34.377
where: short stacking energy: -13.138
Base-Backbone interact. energy: -1.352
local terms energy: -40.414904
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -10.195
flat angles P-C4'-P energy: -3.232
tors. eta vs tors. theta energy: 7.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -221.981842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.981842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.981842 (E_RNA)
where:
Base-Base interactions energy: -151.631
where: short stacking energy: -69.123
Base-Backbone interact. energy: -0.249
local terms energy: -70.102139
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -17.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -214.744201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.744201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.744201 (E_RNA)
where:
Base-Base interactions energy: -140.572
where: short stacking energy: -59.562
Base-Backbone interact. energy: -0.111
local terms energy: -74.061676
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -18.068
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: 2
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -183.664764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.664764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.664764 (E_RNA)
where:
Base-Base interactions energy: -128.446
where: short stacking energy: -52.537
Base-Backbone interact. energy: 0.914
local terms energy: -56.132815
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -10.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -204.925049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.925049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.925049 (E_RNA)
where:
Base-Base interactions energy: -141.164
where: short stacking energy: -45.193
Base-Backbone interact. energy: -0.121
local terms energy: -63.640057
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -13.353
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: 5
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -175.302311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.302311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.302311 (E_RNA)
where:
Base-Base interactions energy: -109.928
where: short stacking energy: -55.128
Base-Backbone interact. energy: -0.012
local terms energy: -65.362138
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -13.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -83.585293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.585293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.585293 (E_RNA)
where:
Base-Base interactions energy: -34.259
where: short stacking energy: -26.682
Base-Backbone interact. energy: -0.245
local terms energy: -49.081482
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: 2.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -93.557528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.557528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.557528 (E_RNA)
where:
Base-Base interactions energy: -35.551
where: short stacking energy: -30.643
Base-Backbone interact. energy: -0.768
local terms energy: -57.238002
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -4.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -85.408600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.408600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.408600 (E_RNA)
where:
Base-Base interactions energy: -32.112
where: short stacking energy: -32.112
Base-Backbone interact. energy: -0.100
local terms energy: -53.196308
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -9.672
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -6.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -91.109539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.109539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.109539 (E_RNA)
where:
Base-Base interactions energy: -44.467
where: short stacking energy: -26.542
Base-Backbone interact. energy: 0.203
local terms energy: -46.844825
where:
bonds (distance) C4'-P energy: -10.017
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -1.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -77.920582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.920582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.920582 (E_RNA)
where:
Base-Base interactions energy: -30.297
where: short stacking energy: -23.874
Base-Backbone interact. energy: -0.050
local terms energy: -47.573513
where:
bonds (distance) C4'-P energy: -10.858
bonds (distance) P-C4' energy: -14.562
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -6.208
tors. eta vs tors. theta energy: -5.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -227.785977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.785977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.785977 (E_RNA)
where:
Base-Base interactions energy: -148.923
where: short stacking energy: -70.672
Base-Backbone interact. energy: -0.013
local terms energy: -78.849894
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -19.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -173.563513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.563513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.563513 (E_RNA)
where:
Base-Base interactions energy: -99.895
where: short stacking energy: -55.622
Base-Backbone interact. energy: -0.848
local terms energy: -72.820796
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -15.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -200.492891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.492891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.492891 (E_RNA)
where:
Base-Base interactions energy: -130.693
where: short stacking energy: -67.517
Base-Backbone interact. energy: -0.399
local terms energy: -69.400763
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -16.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -209.406416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.406416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.406416 (E_RNA)
where:
Base-Base interactions energy: -138.829
where: short stacking energy: -60.418
Base-Backbone interact. energy: -0.192
local terms energy: -70.385982
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -20.514
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: 6
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -202.203980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.203980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.203980 (E_RNA)
where:
Base-Base interactions energy: -136.110
where: short stacking energy: -53.768
Base-Backbone interact. energy: -0.233
local terms energy: -65.861319
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -14.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -101.538045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.538045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.538045 (E_RNA)
where:
Base-Base interactions energy: -47.389
where: short stacking energy: -40.033
Base-Backbone interact. energy: -0.057
local terms energy: -54.092402
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -10.435
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -9.537
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: 7, replica: 8
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -104.074254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.074254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.074254 (E_RNA)
where:
Base-Base interactions energy: -42.557
where: short stacking energy: -42.557
Base-Backbone interact. energy: -0.003
local terms energy: -61.514454
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -12.733
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -8.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -82.174160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.174160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.174160 (E_RNA)
where:
Base-Base interactions energy: -32.028
where: short stacking energy: -24.948
Base-Backbone interact. energy: 0.242
local terms energy: -50.388720
where:
bonds (distance) C4'-P energy: -8.961
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -2.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -83.251290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.251290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.251290 (E_RNA)
where:
Base-Base interactions energy: -37.136
where: short stacking energy: -28.589
Base-Backbone interact. energy: -0.051
local terms energy: -46.064971
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -9.412
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: -4.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -78.044744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.044744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.044744 (E_RNA)
where:
Base-Base interactions energy: -26.939
where: short stacking energy: -26.939
Base-Backbone interact. energy: -0.002
local terms energy: -51.104091
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -12.136
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -5.835
tors. eta vs tors. theta energy: -7.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -218.608322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.608322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.608322 (E_RNA)
where:
Base-Base interactions energy: -144.125
where: short stacking energy: -65.565
Base-Backbone interact. energy: -0.106
local terms energy: -74.377653
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -20.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -172.838194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.838194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.838194 (E_RNA)
where:
Base-Base interactions energy: -104.277
where: short stacking energy: -50.584
Base-Backbone interact. energy: -0.108
local terms energy: -68.453137
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -5.995
tors. eta vs tors. theta energy: -13.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -211.089098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.089098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.089098 (E_RNA)
where:
Base-Base interactions energy: -141.891
where: short stacking energy: -64.277
Base-Backbone interact. energy: -0.343
local terms energy: -68.855373
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -19.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -219.296930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.296930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.296930 (E_RNA)
where:
Base-Base interactions energy: -142.800
where: short stacking energy: -68.569
Base-Backbone interact. energy: -0.056
local terms energy: -76.440917
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -19.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -203.261724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.261724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.261724 (E_RNA)
where:
Base-Base interactions energy: -133.999
where: short stacking energy: -56.916
Base-Backbone interact. energy: -0.002
local terms energy: -69.260670
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -15.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -103.661446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.661446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.661446 (E_RNA)
where:
Base-Base interactions energy: -46.193
where: short stacking energy: -42.580
Base-Backbone interact. energy: -0.008
local terms energy: -57.460315
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -7.391
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: 7, replica: 1
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -97.229655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.229655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.229655 (E_RNA)
where:
Base-Base interactions energy: -40.503
where: short stacking energy: -37.136
Base-Backbone interact. energy: -0.236
local terms energy: -56.490610
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -6.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -93.791794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.791794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.791794 (E_RNA)
where:
Base-Base interactions energy: -40.884
where: short stacking energy: -27.386
Base-Backbone interact. energy: -0.180
local terms energy: -52.727548
where:
bonds (distance) C4'-P energy: -9.276
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -5.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -82.473141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.473141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.473141 (E_RNA)
where:
Base-Base interactions energy: -29.919
where: short stacking energy: -28.290
Base-Backbone interact. energy: -2.735
local terms energy: -49.818554
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -6.386
tors. eta vs tors. theta energy: -3.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -72.151520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.151520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.151520 (E_RNA)
where:
Base-Base interactions energy: -16.428
where: short stacking energy: -16.428
Base-Backbone interact. energy: -0.005
local terms energy: -55.717900
where:
bonds (distance) C4'-P energy: -17.588
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -0.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -219.444005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.444005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.444005 (E_RNA)
where:
Base-Base interactions energy: -148.545
where: short stacking energy: -67.897
Base-Backbone interact. energy: -0.013
local terms energy: -70.885451
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -21.919
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: 5
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -203.338158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.338158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.338158 (E_RNA)
where:
Base-Base interactions energy: -144.072
where: short stacking energy: -65.036
Base-Backbone interact. energy: -0.002
local terms energy: -59.263778
where:
bonds (distance) C4'-P energy: -6.237
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -17.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -177.793733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.793733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.793733 (E_RNA)
where:
Base-Base interactions energy: -111.106
where: short stacking energy: -47.145
Base-Backbone interact. energy: -0.143
local terms energy: -66.544578
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -9.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -215.489085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.489085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.489085 (E_RNA)
where:
Base-Base interactions energy: -143.703
where: short stacking energy: -68.380
Base-Backbone interact. energy: -0.002
local terms energy: -71.783760
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -19.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -191.424621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.424621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.424621 (E_RNA)
where:
Base-Base interactions energy: -132.923
where: short stacking energy: -52.552
Base-Backbone interact. energy: -0.009
local terms energy: -58.492261
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -12.072
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -13.124
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: 1
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -101.129291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.129291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.129291 (E_RNA)
where:
Base-Base interactions energy: -43.517
where: short stacking energy: -40.006
Base-Backbone interact. energy: -0.156
local terms energy: -57.455621
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -11.516
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: 7
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -84.915648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.915648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.915648 (E_RNA)
where:
Base-Base interactions energy: -28.720
where: short stacking energy: -17.703
Base-Backbone interact. energy: -0.099
local terms energy: -56.096470
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -16.556
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -2.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -82.393075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.393075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.393075 (E_RNA)
where:
Base-Base interactions energy: -34.151
where: short stacking energy: -31.872
Base-Backbone interact. energy: -0.306
local terms energy: -47.936742
where:
bonds (distance) C4'-P energy: -10.365
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -7.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -74.678710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.678710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.678710 (E_RNA)
where:
Base-Base interactions energy: -25.056
where: short stacking energy: -18.109
Base-Backbone interact. energy: -1.801
local terms energy: -47.821963
where:
bonds (distance) C4'-P energy: -8.502
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -1.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -79.034431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.034431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.034431 (E_RNA)
where:
Base-Base interactions energy: -29.493
where: short stacking energy: -29.212
Base-Backbone interact. energy: 0.715
local terms energy: -50.256970
where:
bonds (distance) C4'-P energy: -8.704
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -3.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -215.632480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.632480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.632480 (E_RNA)
where:
Base-Base interactions energy: -142.757
where: short stacking energy: -58.812
Base-Backbone interact. energy: -0.167
local terms energy: -72.708359
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -17.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -218.628798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.628798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.628798 (E_RNA)
where:
Base-Base interactions energy: -149.152
where: short stacking energy: -64.358
Base-Backbone interact. energy: -0.218
local terms energy: -69.258980
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -21.759
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: 3, replica: 3
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -209.480021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.480021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.480021 (E_RNA)
where:
Base-Base interactions energy: -136.568
where: short stacking energy: -66.187
Base-Backbone interact. energy: -0.075
local terms energy: -72.837164
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -16.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -174.854632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.854632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.854632 (E_RNA)
where:
Base-Base interactions energy: -105.023
where: short stacking energy: -54.274
Base-Backbone interact. energy: -0.283
local terms energy: -69.548013
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -13.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -194.315188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.315188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.315188 (E_RNA)
where:
Base-Base interactions energy: -128.558
where: short stacking energy: -56.330
Base-Backbone interact. energy: -0.186
local terms energy: -65.571205
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -11.092
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -18.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -121.562290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.562290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.562290 (E_RNA)
where:
Base-Base interactions energy: -61.612
where: short stacking energy: -42.806
Base-Backbone interact. energy: -0.083
local terms energy: -59.867477
where:
bonds (distance) C4'-P energy: -10.132
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -10.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -108.019365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.019365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.019365 (E_RNA)
where:
Base-Base interactions energy: -62.096
where: short stacking energy: -33.503
Base-Backbone interact. energy: -0.366
local terms energy: -45.557494
where:
bonds (distance) C4'-P energy: -9.954
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -7.536
flat angles P-C4'-P energy: -2.631
tors. eta vs tors. theta energy: -9.816
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: 7
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -103.652577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.652577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.652577 (E_RNA)
where:
Base-Base interactions energy: -57.036
where: short stacking energy: -27.492
Base-Backbone interact. energy: 0.696
local terms energy: -47.312615
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -1.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -74.407285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.407285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.407285 (E_RNA)
where:
Base-Base interactions energy: -33.825
where: short stacking energy: -25.240
Base-Backbone interact. energy: -0.499
local terms energy: -40.082947
where:
bonds (distance) C4'-P energy: -7.343
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -0.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -69.921132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.921132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.921132 (E_RNA)
where:
Base-Base interactions energy: -19.120
where: short stacking energy: -19.120
Base-Backbone interact. energy: -0.468
local terms energy: -50.333234
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -2.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -227.330155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.330155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.330155 (E_RNA)
where:
Base-Base interactions energy: -157.097
where: short stacking energy: -71.715
Base-Backbone interact. energy: -0.103
local terms energy: -70.130107
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -10.766
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -22.634
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: 2, replica: 4
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -222.842689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.842689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.842689 (E_RNA)
where:
Base-Base interactions energy: -153.803
where: short stacking energy: -68.649
Base-Backbone interact. energy: -0.002
local terms energy: -69.038056
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -17.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -217.689313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.689313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.689313 (E_RNA)
where:
Base-Base interactions energy: -137.339
where: short stacking energy: -63.627
Base-Backbone interact. energy: -0.171
local terms energy: -80.179138
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -23.647
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: 6
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -190.114581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.114581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.114581 (E_RNA)
where:
Base-Base interactions energy: -124.789
where: short stacking energy: -67.425
Base-Backbone interact. energy: -0.006
local terms energy: -65.319246
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -12.615
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -14.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -173.214939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.214939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.214939 (E_RNA)
where:
Base-Base interactions energy: -107.229
where: short stacking energy: -41.748
Base-Backbone interact. energy: -0.948
local terms energy: -65.038705
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -13.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -87.350897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.350897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.350897 (E_RNA)
where:
Base-Base interactions energy: -37.485
where: short stacking energy: -25.747
Base-Backbone interact. energy: -0.174
local terms energy: -49.691253
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -8.481
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -4.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -86.205183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.205183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.205183 (E_RNA)
where:
Base-Base interactions energy: -37.140
where: short stacking energy: -20.871
Base-Backbone interact. energy: -0.439
local terms energy: -48.625316
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -9.965
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: 3.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -94.589953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.589953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.589953 (E_RNA)
where:
Base-Base interactions energy: -54.226
where: short stacking energy: -28.135
Base-Backbone interact. energy: -0.198
local terms energy: -40.166004
where:
bonds (distance) C4'-P energy: -7.983
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -7.360
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -1.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -90.079850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.079850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.079850 (E_RNA)
where:
Base-Base interactions energy: -46.242
where: short stacking energy: -33.712
Base-Backbone interact. energy: -0.126
local terms energy: -43.712475
where:
bonds (distance) C4'-P energy: -7.168
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -1.855
tors. eta vs tors. theta energy: -5.873
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: 10
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -72.835042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.835042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.835042 (E_RNA)
where:
Base-Base interactions energy: -25.972
where: short stacking energy: -20.506
Base-Backbone interact. energy: -0.031
local terms energy: -46.831260
where:
bonds (distance) C4'-P energy: -8.124
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -1.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -224.353236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.353236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.353236 (E_RNA)
where:
Base-Base interactions energy: -146.111
where: short stacking energy: -70.006
Base-Backbone interact. energy: -0.005
local terms energy: -78.237657
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -20.985
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: 5
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -211.415891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.415891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.415891 (E_RNA)
where:
Base-Base interactions energy: -142.516
where: short stacking energy: -68.995
Base-Backbone interact. energy: -0.023
local terms energy: -68.876381
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -16.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -199.754236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.754236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.754236 (E_RNA)
where:
Base-Base interactions energy: -125.375
where: short stacking energy: -63.487
Base-Backbone interact. energy: -0.020
local terms energy: -74.359612
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -19.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -213.516071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.516071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.516071 (E_RNA)
where:
Base-Base interactions energy: -137.554
where: short stacking energy: -56.352
Base-Backbone interact. energy: -0.239
local terms energy: -75.722648
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -17.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -196.431497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.431497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.431497 (E_RNA)
where:
Base-Base interactions energy: -130.925
where: short stacking energy: -58.982
Base-Backbone interact. energy: -0.410
local terms energy: -65.096377
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -17.904
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: 1
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -103.736476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.736476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.736476 (E_RNA)
where:
Base-Base interactions energy: -49.347
where: short stacking energy: -38.408
Base-Backbone interact. energy: -0.110
local terms energy: -54.279979
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -6.641
tors. eta vs tors. theta energy: -4.584
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: 7, replica: 7
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -88.234985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.234985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.234985 (E_RNA)
where:
Base-Base interactions energy: -30.281
where: short stacking energy: -23.984
Base-Backbone interact. energy: -0.018
local terms energy: -57.936633
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -8.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -78.909230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.909230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.909230 (E_RNA)
where:
Base-Base interactions energy: -24.557
where: short stacking energy: -24.557
Base-Backbone interact. energy: -0.301
local terms energy: -54.051085
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -3.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -83.165715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.165715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.165715 (E_RNA)
where:
Base-Base interactions energy: -31.536
where: short stacking energy: -24.238
Base-Backbone interact. energy: -0.202
local terms energy: -51.427276
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -4.172
tors. eta vs tors. theta energy: -5.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -75.119695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.119695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.119695 (E_RNA)
where:
Base-Base interactions energy: -21.846
where: short stacking energy: -21.846
Base-Backbone interact. energy: -0.022
local terms energy: -53.252272
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -6.831
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -229.670434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.670434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.670434 (E_RNA)
where:
Base-Base interactions energy: -152.387
where: short stacking energy: -73.502
Base-Backbone interact. energy: -0.000
local terms energy: -77.282688
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -19.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -218.025555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.025555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.025555 (E_RNA)
where:
Base-Base interactions energy: -150.920
where: short stacking energy: -67.426
Base-Backbone interact. energy: -0.114
local terms energy: -66.992201
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -4.059
tors. eta vs tors. theta energy: -16.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -193.731656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.731656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.731656 (E_RNA)
where:
Base-Base interactions energy: -121.820
where: short stacking energy: -49.436
Base-Backbone interact. energy: -0.128
local terms energy: -71.783768
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -15.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -189.813555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.813555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.813555 (E_RNA)
where:
Base-Base interactions energy: -125.866
where: short stacking energy: -50.073
Base-Backbone interact. energy: 0.649
local terms energy: -64.596358
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: -10.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -218.506949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.506949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.506949 (E_RNA)
where:
Base-Base interactions energy: -142.379
where: short stacking energy: -65.737
Base-Backbone interact. energy: 0.157
local terms energy: -76.284555
where:
bonds (distance) C4'-P energy: -10.001
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -22.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -111.223544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.223544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.223544 (E_RNA)
where:
Base-Base interactions energy: -55.125
where: short stacking energy: -26.310
Base-Backbone interact. energy: -0.545
local terms energy: -55.554037
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -12.598
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -6.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -99.176058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.176058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.176058 (E_RNA)
where:
Base-Base interactions energy: -35.854
where: short stacking energy: -32.596
Base-Backbone interact. energy: -0.022
local terms energy: -63.299797
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: -12.062
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: 9
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -90.124924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.124924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.124924 (E_RNA)
where:
Base-Base interactions energy: -45.395
where: short stacking energy: -27.404
Base-Backbone interact. energy: -0.299
local terms energy: -44.430947
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -0.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -80.366513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.366513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.366513 (E_RNA)
where:
Base-Base interactions energy: -27.918
where: short stacking energy: -20.205
Base-Backbone interact. energy: -0.270
local terms energy: -52.179310
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -0.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -78.487708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.487708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.487708 (E_RNA)
where:
Base-Base interactions energy: -35.744
where: short stacking energy: -21.947
Base-Backbone interact. energy: 1.460
local terms energy: -44.203576
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -8.201
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -3.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -227.223602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.223602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.223602 (E_RNA)
where:
Base-Base interactions energy: -145.331
where: short stacking energy: -69.162
Base-Backbone interact. energy: -0.040
local terms energy: -81.853156
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -11.996
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: 2, replica: 5
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -224.884514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.884514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.884514 (E_RNA)
where:
Base-Base interactions energy: -147.448
where: short stacking energy: -64.248
Base-Backbone interact. energy: -0.004
local terms energy: -77.432999
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: -20.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -203.752029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.752029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.752029 (E_RNA)
where:
Base-Base interactions energy: -132.532
where: short stacking energy: -62.459
Base-Backbone interact. energy: -0.106
local terms energy: -71.113647
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -17.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -210.999866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.999866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.999866 (E_RNA)
where:
Base-Base interactions energy: -132.665
where: short stacking energy: -58.143
Base-Backbone interact. energy: -0.012
local terms energy: -78.322854
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -20.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -194.265755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.265755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.265755 (E_RNA)
where:
Base-Base interactions energy: -122.341
where: short stacking energy: -66.753
Base-Backbone interact. energy: -0.073
local terms energy: -71.851848
where:
bonds (distance) C4'-P energy: -8.104
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -20.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -123.554905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.554905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.554905 (E_RNA)
where:
Base-Base interactions energy: -72.754
where: short stacking energy: -38.926
Base-Backbone interact. energy: -0.042
local terms energy: -50.759087
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -6.129
tors. eta vs tors. theta energy: -5.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -96.322222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.322222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.322222 (E_RNA)
where:
Base-Base interactions energy: -45.765
where: short stacking energy: -25.700
Base-Backbone interact. energy: -0.526
local terms energy: -50.031210
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: 0.985
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: 8, replica: 1
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -81.631764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.631764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.631764 (E_RNA)
where:
Base-Base interactions energy: -31.025
where: short stacking energy: -21.705
Base-Backbone interact. energy: -0.119
local terms energy: -50.488264
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -10.573
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -1.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -79.787320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.787320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.787320 (E_RNA)
where:
Base-Base interactions energy: -29.422
where: short stacking energy: -29.184
Base-Backbone interact. energy: -0.214
local terms energy: -50.151251
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -10.508
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -0.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -78.767773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.767773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.767773 (E_RNA)
where:
Base-Base interactions energy: -30.990
where: short stacking energy: -20.820
Base-Backbone interact. energy: 0.203
local terms energy: -47.980836
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -10.755
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: -3.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -224.721247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.721247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.721247 (E_RNA)
where:
Base-Base interactions energy: -152.901
where: short stacking energy: -66.867
Base-Backbone interact. energy: -0.072
local terms energy: -71.748678
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -20.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -221.942331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.942331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.942331 (E_RNA)
where:
Base-Base interactions energy: -152.889
where: short stacking energy: -66.004
Base-Backbone interact. energy: -0.098
local terms energy: -68.955287
where:
bonds (distance) C4'-P energy: -9.822
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -19.313
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: 3, replica: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -220.165964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.165964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.165964 (E_RNA)
where:
Base-Base interactions energy: -145.409
where: short stacking energy: -71.396
Base-Backbone interact. energy: 0.468
local terms energy: -75.224626
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -20.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -215.036714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.036714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.036714 (E_RNA)
where:
Base-Base interactions energy: -144.370
where: short stacking energy: -68.519
Base-Backbone interact. energy: -0.478
local terms energy: -70.188285
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -23.078
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: 3
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -208.254090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.254090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.254090 (E_RNA)
where:
Base-Base interactions energy: -129.046
where: short stacking energy: -60.080
Base-Backbone interact. energy: -0.273
local terms energy: -78.935023
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -18.922
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -23.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -132.521773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.521773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.521773 (E_RNA)
where:
Base-Base interactions energy: -75.063
where: short stacking energy: -25.870
Base-Backbone interact. energy: -1.107
local terms energy: -56.351767
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -3.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -125.516203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.516203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.516203 (E_RNA)
where:
Base-Base interactions energy: -63.566
where: short stacking energy: -34.522
Base-Backbone interact. energy: -0.212
local terms energy: -61.738529
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -8.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -85.828050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.828050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.828050 (E_RNA)
where:
Base-Base interactions energy: -33.298
where: short stacking energy: -20.793
Base-Backbone interact. energy: -1.172
local terms energy: -51.357801
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: 1.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -82.513398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.513398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.513398 (E_RNA)
where:
Base-Base interactions energy: -38.764
where: short stacking energy: -28.880
Base-Backbone interact. energy: -0.062
local terms energy: -43.687935
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -9.330
flat angles P-C4'-P energy: -3.364
tors. eta vs tors. theta energy: -3.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -73.897551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.897551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.897551 (E_RNA)
where:
Base-Base interactions energy: -23.332
where: short stacking energy: -17.723
Base-Backbone interact. energy: 2.058
local terms energy: -52.623708
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -10.902
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -2.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -225.783499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.783499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.783499 (E_RNA)
where:
Base-Base interactions energy: -148.677
where: short stacking energy: -68.873
Base-Backbone interact. energy: -0.114
local terms energy: -76.992652
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -20.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -222.199655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.199655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.199655 (E_RNA)
where:
Base-Base interactions energy: -142.480
where: short stacking energy: -62.374
Base-Backbone interact. energy: -0.224
local terms energy: -79.495741
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -20.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -222.268233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.268233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.268233 (E_RNA)
where:
Base-Base interactions energy: -152.032
where: short stacking energy: -67.736
Base-Backbone interact. energy: -0.001
local terms energy: -70.235847
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -17.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -210.479671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.479671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.479671 (E_RNA)
where:
Base-Base interactions energy: -133.656
where: short stacking energy: -59.569
Base-Backbone interact. energy: -0.090
local terms energy: -76.733542
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -18.277
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: 80
Temperature: 1.100000
Total energy: -207.532655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.532655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.532655 (E_RNA)
where:
Base-Base interactions energy: -140.992
where: short stacking energy: -57.563
Base-Backbone interact. energy: -0.147
local terms energy: -66.393705
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -17.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -104.418064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.418064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.418064 (E_RNA)
where:
Base-Base interactions energy: -44.393
where: short stacking energy: -29.146
Base-Backbone interact. energy: -0.512
local terms energy: -59.513868
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -6.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -93.023333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.023333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.023333 (E_RNA)
where:
Base-Base interactions energy: -40.516
where: short stacking energy: -24.830
Base-Backbone interact. energy: -0.206
local terms energy: -52.301259
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -2.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -94.033380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.033380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.033380 (E_RNA)
where:
Base-Base interactions energy: -35.629
where: short stacking energy: -31.308
Base-Backbone interact. energy: -0.056
local terms energy: -58.349245
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -8.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -81.410673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.410673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.410673 (E_RNA)
where:
Base-Base interactions energy: -25.913
where: short stacking energy: -24.840
Base-Backbone interact. energy: -0.363
local terms energy: -55.134319
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -11.100
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -3.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -77.427503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.427503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.427503 (E_RNA)
where:
Base-Base interactions energy: -29.182
where: short stacking energy: -29.182
Base-Backbone interact. energy: 0.586
local terms energy: -48.832015
where:
bonds (distance) C4'-P energy: -9.369
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -8.389
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -5.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -232.292490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.292490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.292490 (E_RNA)
where:
Base-Base interactions energy: -152.913
where: short stacking energy: -64.160
Base-Backbone interact. energy: -0.336
local terms energy: -79.043987
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -20.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -218.935403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.935403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.935403 (E_RNA)
where:
Base-Base interactions energy: -139.630
where: short stacking energy: -65.877
Base-Backbone interact. energy: -0.006
local terms energy: -79.298950
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -14.607
tors. eta vs tors. theta energy: -19.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -219.480888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.480888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.480888 (E_RNA)
where:
Base-Base interactions energy: -147.307
where: short stacking energy: -69.688
Base-Backbone interact. energy: -0.012
local terms energy: -72.162831
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -18.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -213.130782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.130782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.130782 (E_RNA)
where:
Base-Base interactions energy: -141.054
where: short stacking energy: -69.498
Base-Backbone interact. energy: -0.036
local terms energy: -72.040775
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -207.310129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.310129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.310129 (E_RNA)
where:
Base-Base interactions energy: -132.871
where: short stacking energy: -63.778
Base-Backbone interact. energy: -0.043
local terms energy: -74.395667
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -17.193
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: 6, replica: 1
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -101.412293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.412293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.412293 (E_RNA)
where:
Base-Base interactions energy: -38.086
where: short stacking energy: -38.186
Base-Backbone interact. energy: -0.137
local terms energy: -63.189110
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -17.754
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -10.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -98.690636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.690636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.690636 (E_RNA)
where:
Base-Base interactions energy: -39.002
where: short stacking energy: -34.757
Base-Backbone interact. energy: -0.007
local terms energy: -59.681298
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -3.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -86.487705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.487705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.487705 (E_RNA)
where:
Base-Base interactions energy: -33.882
where: short stacking energy: -29.127
Base-Backbone interact. energy: 5.078
local terms energy: -57.683618
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -1.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -79.867958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.867958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.867958 (E_RNA)
where:
Base-Base interactions energy: -32.853
where: short stacking energy: -27.466
Base-Backbone interact. energy: -0.146
local terms energy: -46.869075
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -9.230
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -1.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -71.036261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.036261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.036261 (E_RNA)
where:
Base-Base interactions energy: -16.406
where: short stacking energy: -16.406
Base-Backbone interact. energy: 0.099
local terms energy: -54.729008
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -6.281
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: 6
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -216.052815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.052815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.052815 (E_RNA)
where:
Base-Base interactions energy: -135.279
where: short stacking energy: -65.874
Base-Backbone interact. energy: -0.000
local terms energy: -80.773572
where:
bonds (distance) C4'-P energy: -17.693
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -19.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -218.941483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.941483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.941483 (E_RNA)
where:
Base-Base interactions energy: -142.866
where: short stacking energy: -60.992
Base-Backbone interact. energy: -0.653
local terms energy: -75.422330
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -16.794
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: 3
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -214.057615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.057615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.057615 (E_RNA)
where:
Base-Base interactions energy: -134.584
where: short stacking energy: -65.103
Base-Backbone interact. energy: -0.016
local terms energy: -79.458531
where:
bonds (distance) C4'-P energy: -11.427
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -13.775
flat angles P-C4'-P energy: -12.049
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: 4, replica: 5
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -207.064749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.064749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.064749 (E_RNA)
where:
Base-Base interactions energy: -130.892
where: short stacking energy: -59.850
Base-Backbone interact. energy: -0.024
local terms energy: -76.148299
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -15.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -200.020703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.020703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.020703 (E_RNA)
where:
Base-Base interactions energy: -133.503
where: short stacking energy: -52.469
Base-Backbone interact. energy: -0.000
local terms energy: -66.517444
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -16.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -102.410163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.410163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.410163 (E_RNA)
where:
Base-Base interactions energy: -52.075
where: short stacking energy: -49.109
Base-Backbone interact. energy: -0.078
local terms energy: -50.256254
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -11.807
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: -3.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -89.361957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.361957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.361957 (E_RNA)
where:
Base-Base interactions energy: -40.642
where: short stacking energy: -31.920
Base-Backbone interact. energy: -0.195
local terms energy: -48.524508
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -10.928
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -4.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -133.372143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.372143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.372143 (E_RNA)
where:
Base-Base interactions energy: -79.593
where: short stacking energy: -34.024
Base-Backbone interact. energy: 0.950
local terms energy: -54.729214
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -6.332
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -11.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -94.084072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.084072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.084072 (E_RNA)
where:
Base-Base interactions energy: -54.075
where: short stacking energy: -37.609
Base-Backbone interact. energy: 0.712
local terms energy: -40.720671
where:
bonds (distance) C4'-P energy: -10.229
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -5.999
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: -5.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -85.158642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.158642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.158642 (E_RNA)
where:
Base-Base interactions energy: -29.027
where: short stacking energy: -28.563
Base-Backbone interact. energy: -0.205
local terms energy: -55.926788
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -4.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -213.313329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.313329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.313329 (E_RNA)
where:
Base-Base interactions energy: -134.482
where: short stacking energy: -56.454
Base-Backbone interact. energy: -0.001
local terms energy: -78.830861
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -20.817
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: 2, replica: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -228.111797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.111797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.111797 (E_RNA)
where:
Base-Base interactions energy: -148.086
where: short stacking energy: -75.542
Base-Backbone interact. energy: -0.042
local terms energy: -79.983070
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -21.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -219.650455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.650455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.650455 (E_RNA)
where:
Base-Base interactions energy: -139.818
where: short stacking energy: -57.003
Base-Backbone interact. energy: -0.001
local terms energy: -79.831248
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -20.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -211.398184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.398184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.398184 (E_RNA)
where:
Base-Base interactions energy: -145.820
where: short stacking energy: -68.008
Base-Backbone interact. energy: -0.479
local terms energy: -65.099174
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -2.586
tors. eta vs tors. theta energy: -20.799
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: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -192.802038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.802038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.802038 (E_RNA)
where:
Base-Base interactions energy: -124.826
where: short stacking energy: -57.550
Base-Backbone interact. energy: -0.114
local terms energy: -67.862333
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -14.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -95.441960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.441960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.441960 (E_RNA)
where:
Base-Base interactions energy: -46.613
where: short stacking energy: -25.438
Base-Backbone interact. energy: -0.141
local terms energy: -48.688345
where:
bonds (distance) C4'-P energy: -8.070
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -10.594
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -2.187
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: 1
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -97.054851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.054851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.054851 (E_RNA)
where:
Base-Base interactions energy: -35.202
where: short stacking energy: -35.202
Base-Backbone interact. energy: -0.031
local terms energy: -61.821816
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -7.765
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -11.529
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: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -95.220821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.220821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.220821 (E_RNA)
where:
Base-Base interactions energy: -33.421
where: short stacking energy: -33.421
Base-Backbone interact. energy: 0.163
local terms energy: -61.962334
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -9.032
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: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -111.704004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.704004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.704004 (E_RNA)
where:
Base-Base interactions energy: -63.094
where: short stacking energy: -22.424
Base-Backbone interact. energy: -0.122
local terms energy: -48.487269
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -11.505
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: -4.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -76.514859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.514859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.514859 (E_RNA)
where:
Base-Base interactions energy: -30.405
where: short stacking energy: -28.587
Base-Backbone interact. energy: -0.233
local terms energy: -45.876546
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -9.930
flat angles P-C4'-P energy: -3.533
tors. eta vs tors. theta energy: -3.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -219.203525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.203525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.203525 (E_RNA)
where:
Base-Base interactions energy: -143.251
where: short stacking energy: -64.982
Base-Backbone interact. energy: -0.002
local terms energy: -75.950937
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -20.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -217.160086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.160086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.160086 (E_RNA)
where:
Base-Base interactions energy: -151.457
where: short stacking energy: -65.413
Base-Backbone interact. energy: -0.047
local terms energy: -65.655889
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -14.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -223.901772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.901772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.901772 (E_RNA)
where:
Base-Base interactions energy: -149.179
where: short stacking energy: -69.545
Base-Backbone interact. energy: -0.086
local terms energy: -74.636459
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -10.068
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -21.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -209.830731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.830731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.830731 (E_RNA)
where:
Base-Base interactions energy: -131.602
where: short stacking energy: -65.212
Base-Backbone interact. energy: -1.067
local terms energy: -77.161661
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -19.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -200.785602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.785602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.785602 (E_RNA)
where:
Base-Base interactions energy: -128.783
where: short stacking energy: -59.550
Base-Backbone interact. energy: -1.783
local terms energy: -70.220034
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -16.637
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -5.550
tors. eta vs tors. theta energy: -20.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -95.502558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.502558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.502558 (E_RNA)
where:
Base-Base interactions energy: -39.788
where: short stacking energy: -39.788
Base-Backbone interact. energy: -0.021
local terms energy: -55.693898
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -11.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -88.266071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.266071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.266071 (E_RNA)
where:
Base-Base interactions energy: -38.182
where: short stacking energy: -25.496
Base-Backbone interact. energy: 0.213
local terms energy: -50.297665
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -9.702
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -1.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -85.821286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.821286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.821286 (E_RNA)
where:
Base-Base interactions energy: -30.212
where: short stacking energy: -23.591
Base-Backbone interact. energy: -0.243
local terms energy: -55.366446
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -0.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -74.199686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.199686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.199686 (E_RNA)
where:
Base-Base interactions energy: -36.093
where: short stacking energy: -25.783
Base-Backbone interact. energy: 1.233
local terms energy: -39.338774
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -7.421
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -6.824
tors. eta vs tors. theta energy: -0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -96.349878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.349878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.349878 (E_RNA)
where:
Base-Base interactions energy: -48.333
where: short stacking energy: -24.473
Base-Backbone interact. energy: -0.046
local terms energy: -47.970332
where:
bonds (distance) C4'-P energy: -6.721
bonds (distance) P-C4' energy: -12.245
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -5.198
tors. eta vs tors. theta energy: -12.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -219.838512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.838512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.838512 (E_RNA)
where:
Base-Base interactions energy: -141.768
where: short stacking energy: -66.644
Base-Backbone interact. energy: -0.085
local terms energy: -77.985279
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -18.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -218.646331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.646331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.646331 (E_RNA)
where:
Base-Base interactions energy: -141.814
where: short stacking energy: -67.194
Base-Backbone interact. energy: -0.025
local terms energy: -76.807254
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -20.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -206.990542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.990542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.990542 (E_RNA)
where:
Base-Base interactions energy: -140.193
where: short stacking energy: -66.658
Base-Backbone interact. energy: -0.053
local terms energy: -66.744649
where:
bonds (distance) C4'-P energy: -7.122
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -19.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -207.818788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.818788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.818788 (E_RNA)
where:
Base-Base interactions energy: -136.860
where: short stacking energy: -64.073
Base-Backbone interact. energy: -0.684
local terms energy: -70.275578
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -13.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -192.743966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.743966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.743966 (E_RNA)
where:
Base-Base interactions energy: -128.108
where: short stacking energy: -56.802
Base-Backbone interact. energy: -0.478
local terms energy: -64.158427
where:
bonds (distance) C4'-P energy: -10.899
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -15.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -112.669872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.669872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.669872 (E_RNA)
where:
Base-Base interactions energy: -57.169
where: short stacking energy: -36.713
Base-Backbone interact. energy: -0.578
local terms energy: -54.922596
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -12.512
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -8.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -91.204141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.204141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.204141 (E_RNA)
where:
Base-Base interactions energy: -35.857
where: short stacking energy: -35.857
Base-Backbone interact. energy: -0.121
local terms energy: -55.225925
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -6.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -82.628511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.628511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.628511 (E_RNA)
where:
Base-Base interactions energy: -27.773
where: short stacking energy: -24.116
Base-Backbone interact. energy: -0.217
local terms energy: -54.638768
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -3.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -89.001447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.001447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.001447 (E_RNA)
where:
Base-Base interactions energy: -40.422
where: short stacking energy: -26.630
Base-Backbone interact. energy: 0.065
local terms energy: -48.644816
where:
bonds (distance) C4'-P energy: -10.887
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -0.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -82.765909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.765909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.765909 (E_RNA)
where:
Base-Base interactions energy: -35.954
where: short stacking energy: -32.757
Base-Backbone interact. energy: -0.495
local terms energy: -46.316293
where:
bonds (distance) C4'-P energy: -8.376
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -5.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -223.903653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.903653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.903653 (E_RNA)
where:
Base-Base interactions energy: -145.004
where: short stacking energy: -64.958
Base-Backbone interact. energy: -0.005
local terms energy: -78.895330
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -20.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -220.826439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.826439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.826439 (E_RNA)
where:
Base-Base interactions energy: -145.676
where: short stacking energy: -64.759
Base-Backbone interact. energy: -0.071
local terms energy: -75.079006
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -12.246
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -20.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -213.637454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.637454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.637454 (E_RNA)
where:
Base-Base interactions energy: -135.318
where: short stacking energy: -64.955
Base-Backbone interact. energy: -0.093
local terms energy: -78.226415
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -22.434
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: 6
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -207.746992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.746992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.746992 (E_RNA)
where:
Base-Base interactions energy: -135.725
where: short stacking energy: -64.159
Base-Backbone interact. energy: -0.045
local terms energy: -71.977151
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -17.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -199.908279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.908279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.908279 (E_RNA)
where:
Base-Base interactions energy: -125.843
where: short stacking energy: -59.698
Base-Backbone interact. energy: -0.008
local terms energy: -74.057013
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -19.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -117.348805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.348805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.348805 (E_RNA)
where:
Base-Base interactions energy: -60.972
where: short stacking energy: -46.950
Base-Backbone interact. energy: -0.340
local terms energy: -56.036120
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -11.226
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -13.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -87.437846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.437846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.437846 (E_RNA)
where:
Base-Base interactions energy: -38.493
where: short stacking energy: -28.358
Base-Backbone interact. energy: -0.007
local terms energy: -48.937886
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -1.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -89.860231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.860231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.860231 (E_RNA)
where:
Base-Base interactions energy: -35.857
where: short stacking energy: -35.857
Base-Backbone interact. energy: -0.135
local terms energy: -53.867602
where:
bonds (distance) C4'-P energy: -9.453
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -11.778
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -6.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -92.609763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.609763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.609763 (E_RNA)
where:
Base-Base interactions energy: -39.224
where: short stacking energy: -22.069
Base-Backbone interact. energy: 0.237
local terms energy: -53.622943
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -5.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -76.385783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.385783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.385783 (E_RNA)
where:
Base-Base interactions energy: -34.052
where: short stacking energy: -25.967
Base-Backbone interact. energy: 0.095
local terms energy: -42.428794
where:
bonds (distance) C4'-P energy: -5.921
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -7.884
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -2.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -225.562361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.562361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.562361 (E_RNA)
where:
Base-Base interactions energy: -149.955
where: short stacking energy: -67.000
Base-Backbone interact. energy: 0.385
local terms energy: -75.992604
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -18.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -220.204500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.204500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.204500 (E_RNA)
where:
Base-Base interactions energy: -146.925
where: short stacking energy: -63.907
Base-Backbone interact. energy: -0.351
local terms energy: -72.928712
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -20.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -221.340540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.340540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.340540 (E_RNA)
where:
Base-Base interactions energy: -141.507
where: short stacking energy: -64.396
Base-Backbone interact. energy: -0.001
local terms energy: -79.832235
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -13.847
tors. eta vs tors. theta energy: -19.186
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: 4, replica: 4
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -192.129238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.129238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.129238 (E_RNA)
where:
Base-Base interactions energy: -117.606
where: short stacking energy: -59.228
Base-Backbone interact. energy: -0.119
local terms energy: -74.404234
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -20.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -187.981832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.981832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.981832 (E_RNA)
where:
Base-Base interactions energy: -123.187
where: short stacking energy: -58.598
Base-Backbone interact. energy: -0.386
local terms energy: -64.408351
where:
bonds (distance) C4'-P energy: -8.108
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -17.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -86.794325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.794325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.794325 (E_RNA)
where:
Base-Base interactions energy: -31.513
where: short stacking energy: -24.528
Base-Backbone interact. energy: 1.086
local terms energy: -56.367323
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -2.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -86.602756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.602756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.602756 (E_RNA)
where:
Base-Base interactions energy: -40.234
where: short stacking energy: -26.721
Base-Backbone interact. energy: -0.564
local terms energy: -45.805035
where:
bonds (distance) C4'-P energy: -10.365
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -5.750
tors. eta vs tors. theta energy: -3.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -81.892575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.892575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.892575 (E_RNA)
where:
Base-Base interactions energy: -36.499
where: short stacking energy: -36.499
Base-Backbone interact. energy: -0.066
local terms energy: -45.327677
where:
bonds (distance) C4'-P energy: -7.756
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -10.361
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -5.573
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: 10
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -84.154829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.154829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.154829 (E_RNA)
where:
Base-Base interactions energy: -28.114
where: short stacking energy: -23.093
Base-Backbone interact. energy: 2.280
local terms energy: -58.320548
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -3.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -65.451988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.451988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.451988 (E_RNA)
where:
Base-Base interactions energy: -31.528
where: short stacking energy: -22.710
Base-Backbone interact. energy: 0.999
local terms energy: -34.922884
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -11.077
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: 0.115
tors. eta vs tors. theta energy: 0.885
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: 88
Temperature: 0.900000
Total energy: -223.387365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.387365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.387365 (E_RNA)
where:
Base-Base interactions energy: -143.281
where: short stacking energy: -62.054
Base-Backbone interact. energy: -0.837
local terms energy: -79.269820
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -21.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -221.712945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.712945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.712945 (E_RNA)
where:
Base-Base interactions energy: -151.256
where: short stacking energy: -66.875
Base-Backbone interact. energy: -0.332
local terms energy: -70.125173
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -6.271
tors. eta vs tors. theta energy: -19.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -214.746004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.746004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.746004 (E_RNA)
where:
Base-Base interactions energy: -146.896
where: short stacking energy: -62.547
Base-Backbone interact. energy: -0.005
local terms energy: -67.844733
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -19.802
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: 4
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -189.138095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.138095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.138095 (E_RNA)
where:
Base-Base interactions energy: -125.997
where: short stacking energy: -51.174
Base-Backbone interact. energy: -0.031
local terms energy: -63.110081
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -11.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -187.510351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.510351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.510351 (E_RNA)
where:
Base-Base interactions energy: -125.522
where: short stacking energy: -56.990
Base-Backbone interact. energy: 0.146
local terms energy: -62.133581
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -8.510
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -15.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -117.558998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.558998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.558998 (E_RNA)
where:
Base-Base interactions energy: -58.832
where: short stacking energy: -30.544
Base-Backbone interact. energy: 0.083
local terms energy: -58.809727
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -6.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -85.033496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.033496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.033496 (E_RNA)
where:
Base-Base interactions energy: -30.982
where: short stacking energy: -30.982
Base-Backbone interact. energy: 0.091
local terms energy: -54.142231
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -6.369
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: 8, replica: 9
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -74.127613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.127613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.127613 (E_RNA)
where:
Base-Base interactions energy: -28.310
where: short stacking energy: -26.900
Base-Backbone interact. energy: -0.085
local terms energy: -45.732540
where:
bonds (distance) C4'-P energy: -9.346
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: -1.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -82.352659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.352659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.352659 (E_RNA)
where:
Base-Base interactions energy: -31.313
where: short stacking energy: -13.104
Base-Backbone interact. energy: -0.289
local terms energy: -50.750017
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -2.690
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: 10, replica: 10
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -78.672176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.672176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.672176 (E_RNA)
where:
Base-Base interactions energy: -27.813
where: short stacking energy: -19.021
Base-Backbone interact. energy: 1.947
local terms energy: -52.805612
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -5.323
tors. eta vs tors. theta energy: -2.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -227.185831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.185831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.185831 (E_RNA)
where:
Base-Base interactions energy: -152.676
where: short stacking energy: -71.027
Base-Backbone interact. energy: -0.048
local terms energy: -74.461614
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -20.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -218.323385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.323385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.323385 (E_RNA)
where:
Base-Base interactions energy: -149.747
where: short stacking energy: -68.918
Base-Backbone interact. energy: 0.557
local terms energy: -69.132855
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -19.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -210.152966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.152966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.152966 (E_RNA)
where:
Base-Base interactions energy: -140.293
where: short stacking energy: -57.238
Base-Backbone interact. energy: -0.424
local terms energy: -69.435812
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -15.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -192.269521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.269521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.269521 (E_RNA)
where:
Base-Base interactions energy: -137.996
where: short stacking energy: -54.847
Base-Backbone interact. energy: 1.653
local terms energy: -55.925906
where:
bonds (distance) C4'-P energy: -6.883
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -11.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -175.756964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.756964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.756964 (E_RNA)
where:
Base-Base interactions energy: -107.474
where: short stacking energy: -59.418
Base-Backbone interact. energy: -0.037
local terms energy: -68.246795
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -13.303
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: 6, replica: 1
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -131.382167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.382167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.382167 (E_RNA)
where:
Base-Base interactions energy: -71.854
where: short stacking energy: -37.098
Base-Backbone interact. energy: -0.419
local terms energy: -59.108849
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: -7.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -93.259707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.259707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.259707 (E_RNA)
where:
Base-Base interactions energy: -43.722
where: short stacking energy: -36.660
Base-Backbone interact. energy: -0.064
local terms energy: -49.473097
where:
bonds (distance) C4'-P energy: -8.150
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -4.097
tors. eta vs tors. theta energy: -7.431
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: 7
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -93.273037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.273037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.273037 (E_RNA)
where:
Base-Base interactions energy: -46.706
where: short stacking energy: -41.409
Base-Backbone interact. energy: -0.217
local terms energy: -46.350326
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -10.659
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -3.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -90.324646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.324646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.324646 (E_RNA)
where:
Base-Base interactions energy: -34.737
where: short stacking energy: -32.573
Base-Backbone interact. energy: -0.189
local terms energy: -55.399337
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -9.516
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -70.327467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.327467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.327467 (E_RNA)
where:
Base-Base interactions energy: -23.344
where: short stacking energy: -14.470
Base-Backbone interact. energy: -0.030
local terms energy: -46.952596
where:
bonds (distance) C4'-P energy: -9.436
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -8.292
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -2.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -229.849804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.849804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.849804 (E_RNA)
where:
Base-Base interactions energy: -150.188
where: short stacking energy: -70.545
Base-Backbone interact. energy: -0.929
local terms energy: -78.733103
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -20.101
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: 2, replica: 2
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -221.653176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.653176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.653176 (E_RNA)
where:
Base-Base interactions energy: -150.082
where: short stacking energy: -67.763
Base-Backbone interact. energy: -0.076
local terms energy: -71.495019
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -19.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -230.322925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.322925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.322925 (E_RNA)
where:
Base-Base interactions energy: -151.306
where: short stacking energy: -72.376
Base-Backbone interact. energy: -0.534
local terms energy: -78.482719
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -20.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -162.758428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.758428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.758428 (E_RNA)
where:
Base-Base interactions energy: -93.425
where: short stacking energy: -54.200
Base-Backbone interact. energy: -0.197
local terms energy: -69.136275
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -13.513
tors. eta vs tors. theta energy: -9.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -153.295709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.295709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.295709 (E_RNA)
where:
Base-Base interactions energy: -102.006
where: short stacking energy: -46.113
Base-Backbone interact. energy: -0.062
local terms energy: -51.228031
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -7.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -172.740357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.740357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.740357 (E_RNA)
where:
Base-Base interactions energy: -115.628
where: short stacking energy: -44.571
Base-Backbone interact. energy: -0.088
local terms energy: -57.024426
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -11.451
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -13.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -91.992308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.992308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.992308 (E_RNA)
where:
Base-Base interactions energy: -38.946
where: short stacking energy: -31.799
Base-Backbone interact. energy: -0.312
local terms energy: -52.735018
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -4.375
tors. eta vs tors. theta energy: -2.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -86.251121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.251121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.251121 (E_RNA)
where:
Base-Base interactions energy: -37.139
where: short stacking energy: -32.025
Base-Backbone interact. energy: -0.119
local terms energy: -48.992717
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -77.454754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.454754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.454754 (E_RNA)
where:
Base-Base interactions energy: -22.419
where: short stacking energy: -22.419
Base-Backbone interact. energy: -1.196
local terms energy: -53.839023
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -1.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -71.319404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.319404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.319404 (E_RNA)
where:
Base-Base interactions energy: -28.557
where: short stacking energy: -25.948
Base-Backbone interact. energy: -0.193
local terms energy: -42.568484
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -8.345
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -5.223
tors. eta vs tors. theta energy: -3.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -229.630228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.630228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.630228 (E_RNA)
where:
Base-Base interactions energy: -158.447
where: short stacking energy: -63.549
Base-Backbone interact. energy: -0.105
local terms energy: -71.078214
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -19.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -213.798079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.798079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.798079 (E_RNA)
where:
Base-Base interactions energy: -144.533
where: short stacking energy: -58.664
Base-Backbone interact. energy: -0.140
local terms energy: -69.125021
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -19.025
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: 3, replica: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -209.150282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.150282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.150282 (E_RNA)
where:
Base-Base interactions energy: -136.471
where: short stacking energy: -64.126
Base-Backbone interact. energy: -0.251
local terms energy: -72.428269
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -16.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -166.142434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.142434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.142434 (E_RNA)
where:
Base-Base interactions energy: -98.602
where: short stacking energy: -54.225
Base-Backbone interact. energy: -0.048
local terms energy: -67.492490
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -10.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -149.031200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.031200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.031200 (E_RNA)
where:
Base-Base interactions energy: -88.343
where: short stacking energy: -46.194
Base-Backbone interact. energy: -0.866
local terms energy: -59.821823
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -9.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -187.166182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.166182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.166182 (E_RNA)
where:
Base-Base interactions energy: -116.547
where: short stacking energy: -52.080
Base-Backbone interact. energy: -0.005
local terms energy: -70.613943
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -18.188
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: 7
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -104.988257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.988257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.988257 (E_RNA)
where:
Base-Base interactions energy: -47.741
where: short stacking energy: -45.452
Base-Backbone interact. energy: -0.157
local terms energy: -57.090543
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -5.754
tors. eta vs tors. theta energy: -10.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -87.125384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.125384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.125384 (E_RNA)
where:
Base-Base interactions energy: -32.554
where: short stacking energy: -16.672
Base-Backbone interact. energy: 0.110
local terms energy: -54.681505
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -11.762
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -3.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -78.045224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.045224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.045224 (E_RNA)
where:
Base-Base interactions energy: -21.733
where: short stacking energy: -14.874
Base-Backbone interact. energy: -0.063
local terms energy: -56.249919
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -10.588
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: 10
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -83.201071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.201071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.201071 (E_RNA)
where:
Base-Base interactions energy: -29.167
where: short stacking energy: -21.830
Base-Backbone interact. energy: -0.195
local terms energy: -53.839061
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: 1.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -221.790313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.790313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.790313 (E_RNA)
where:
Base-Base interactions energy: -144.483
where: short stacking energy: -71.584
Base-Backbone interact. energy: 0.454
local terms energy: -77.760547
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -19.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -211.384831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.384831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.384831 (E_RNA)
where:
Base-Base interactions energy: -137.265
where: short stacking energy: -66.875
Base-Backbone interact. energy: -0.630
local terms energy: -73.490015
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -12.016
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -13.706
tors. eta vs tors. theta energy: -22.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -208.892106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.892106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.892106 (E_RNA)
where:
Base-Base interactions energy: -138.641
where: short stacking energy: -62.973
Base-Backbone interact. energy: -0.290
local terms energy: -69.961019
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -4.073
tors. eta vs tors. theta energy: -18.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -181.390494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.390494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.390494 (E_RNA)
where:
Base-Base interactions energy: -108.812
where: short stacking energy: -54.766
Base-Backbone interact. energy: -0.189
local terms energy: -72.390103
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -14.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -190.189773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.189773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.189773 (E_RNA)
where:
Base-Base interactions energy: -125.679
where: short stacking energy: -54.384
Base-Backbone interact. energy: -0.042
local terms energy: -64.468485
where:
bonds (distance) C4'-P energy: -10.117
bonds (distance) P-C4' energy: -10.899
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -17.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -158.921826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.921826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.921826 (E_RNA)
where:
Base-Base interactions energy: -87.152
where: short stacking energy: -46.994
Base-Backbone interact. energy: -0.587
local terms energy: -71.182923
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -12.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -97.080971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.080971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.080971 (E_RNA)
where:
Base-Base interactions energy: -32.637
where: short stacking energy: -32.637
Base-Backbone interact. energy: -0.108
local terms energy: -64.335441
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -10.686
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: 8, replica: 7
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -92.004968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.004968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.004968 (E_RNA)
where:
Base-Base interactions energy: -40.146
where: short stacking energy: -34.809
Base-Backbone interact. energy: -0.122
local terms energy: -51.736540
where:
bonds (distance) C4'-P energy: -12.238
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -2.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -81.593001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.593001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.593001 (E_RNA)
where:
Base-Base interactions energy: -35.962
where: short stacking energy: -9.766
Base-Backbone interact. energy: -0.375
local terms energy: -45.256236
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -10.564
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: 3.101
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: 10, replica: 8
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -68.393151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.393151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.393151 (E_RNA)
where:
Base-Base interactions energy: -22.158
where: short stacking energy: -13.838
Base-Backbone interact. energy: -0.196
local terms energy: -46.039158
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -9.397
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: 5.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -222.262864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.262864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.262864 (E_RNA)
where:
Base-Base interactions energy: -152.057
where: short stacking energy: -70.668
Base-Backbone interact. energy: -0.024
local terms energy: -70.182191
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -5.635
tors. eta vs tors. theta energy: -19.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -222.439600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.439600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.439600 (E_RNA)
where:
Base-Base interactions energy: -146.304
where: short stacking energy: -64.108
Base-Backbone interact. energy: -0.059
local terms energy: -76.076651
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -3.926
tors. eta vs tors. theta energy: -21.804
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: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -208.643742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.643742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.643742 (E_RNA)
where:
Base-Base interactions energy: -133.058
where: short stacking energy: -57.960
Base-Backbone interact. energy: -0.005
local terms energy: -75.580282
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -16.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -212.939727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.939727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.939727 (E_RNA)
where:
Base-Base interactions energy: -137.829
where: short stacking energy: -71.743
Base-Backbone interact. energy: -0.001
local terms energy: -75.109423
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -21.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -211.458903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.458903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.458903 (E_RNA)
where:
Base-Base interactions energy: -137.144
where: short stacking energy: -64.741
Base-Backbone interact. energy: -0.119
local terms energy: -74.195853
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -9.268
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -21.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -162.101231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.101231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.101231 (E_RNA)
where:
Base-Base interactions energy: -107.455
where: short stacking energy: -42.715
Base-Backbone interact. energy: -0.182
local terms energy: -54.463498
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -4.703
tors. eta vs tors. theta energy: -10.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -84.637240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.637240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.637240 (E_RNA)
where:
Base-Base interactions energy: -34.618
where: short stacking energy: -34.618
Base-Backbone interact. energy: -0.053
local terms energy: -49.966714
where:
bonds (distance) C4'-P energy: -5.675
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -9.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -87.781293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.781293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.781293 (E_RNA)
where:
Base-Base interactions energy: -39.057
where: short stacking energy: -29.074
Base-Backbone interact. energy: -0.165
local terms energy: -48.559930
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -6.783
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -9.529
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: 10
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -84.624538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.624538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.624538 (E_RNA)
where:
Base-Base interactions energy: -32.882
where: short stacking energy: -21.784
Base-Backbone interact. energy: -0.299
local terms energy: -51.444028
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -1.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -75.659588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.659588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.659588 (E_RNA)
where:
Base-Base interactions energy: -35.919
where: short stacking energy: -24.160
Base-Backbone interact. energy: -0.219
local terms energy: -39.521519
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -3.853
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: 2
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -221.166807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.166807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.166807 (E_RNA)
where:
Base-Base interactions energy: -140.788
where: short stacking energy: -69.077
Base-Backbone interact. energy: -0.066
local terms energy: -80.312760
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -20.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -221.899548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.899548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.899548 (E_RNA)
where:
Base-Base interactions energy: -146.817
where: short stacking energy: -72.010
Base-Backbone interact. energy: -0.005
local terms energy: -75.077408
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -19.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -220.092937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.092937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.092937 (E_RNA)
where:
Base-Base interactions energy: -156.080
where: short stacking energy: -62.164
Base-Backbone interact. energy: -0.457
local terms energy: -63.556083
where:
bonds (distance) C4'-P energy: -10.333
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -4.016
tors. eta vs tors. theta energy: -14.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -209.140738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.140738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.140738 (E_RNA)
where:
Base-Base interactions energy: -138.731
where: short stacking energy: -57.902
Base-Backbone interact. energy: -0.143
local terms energy: -70.266172
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -17.039
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: 94
Temperature: 1.100000
Total energy: -205.452135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.452135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.452135 (E_RNA)
where:
Base-Base interactions energy: -137.870
where: short stacking energy: -67.259
Base-Backbone interact. energy: -0.011
local terms energy: -67.570889
where:
bonds (distance) C4'-P energy: -6.319
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -20.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -192.207791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.207791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.207791 (E_RNA)
where:
Base-Base interactions energy: -130.233
where: short stacking energy: -65.555
Base-Backbone interact. energy: -0.437
local terms energy: -61.537183
where:
bonds (distance) C4'-P energy: -5.065
bonds (distance) P-C4' energy: -15.971
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -21.286
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: 7, replica: 7
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -100.045281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.045281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.045281 (E_RNA)
where:
Base-Base interactions energy: -55.888
where: short stacking energy: -28.453
Base-Backbone interact. energy: 0.207
local terms energy: -44.363919
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -11.042
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -5.125
tors. eta vs tors. theta energy: -2.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -85.338453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.338453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.338453 (E_RNA)
where:
Base-Base interactions energy: -45.022
where: short stacking energy: -34.866
Base-Backbone interact. energy: -0.006
local terms energy: -40.310245
where:
bonds (distance) C4'-P energy: -4.952
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -3.796
tors. eta vs tors. theta energy: -2.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -72.761185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.761185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.761185 (E_RNA)
where:
Base-Base interactions energy: -25.848
where: short stacking energy: -24.179
Base-Backbone interact. energy: -0.361
local terms energy: -46.552406
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -11.152
flat angles C4'-P-C4' energy: -9.279
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -4.654
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: 10, replica: 10
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -78.731748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.731748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.731748 (E_RNA)
where:
Base-Base interactions energy: -26.799
where: short stacking energy: -26.799
Base-Backbone interact. energy: -0.012
local terms energy: -51.920197
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -1.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -222.822766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.822766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.822766 (E_RNA)
where:
Base-Base interactions energy: -149.010
where: short stacking energy: -66.032
Base-Backbone interact. energy: -0.034
local terms energy: -73.778704
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -17.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -231.486387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.486387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.486387 (E_RNA)
where:
Base-Base interactions energy: -157.223
where: short stacking energy: -69.661
Base-Backbone interact. energy: 0.632
local terms energy: -74.895326
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -17.869
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -16.586
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: 5
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -212.689211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.689211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.689211 (E_RNA)
where:
Base-Base interactions energy: -136.334
where: short stacking energy: -65.480
Base-Backbone interact. energy: -0.041
local terms energy: -76.314552
where:
bonds (distance) C4'-P energy: -12.300
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -16.487
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: 4
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -204.471268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.471268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.471268 (E_RNA)
where:
Base-Base interactions energy: -136.269
where: short stacking energy: -57.989
Base-Backbone interact. energy: -0.262
local terms energy: -67.940231
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -16.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -197.216676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.216676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.216676 (E_RNA)
where:
Base-Base interactions energy: -129.626
where: short stacking energy: -51.205
Base-Backbone interact. energy: -0.144
local terms energy: -67.446208
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -19.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -187.258610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.258610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.258610 (E_RNA)
where:
Base-Base interactions energy: -119.813
where: short stacking energy: -53.293
Base-Backbone interact. energy: -0.573
local terms energy: -66.872413
where:
bonds (distance) C4'-P energy: -8.076
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -17.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -103.614517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.614517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.614517 (E_RNA)
where:
Base-Base interactions energy: -49.841
where: short stacking energy: -40.519
Base-Backbone interact. energy: -2.101
local terms energy: -51.672693
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -5.161
tors. eta vs tors. theta energy: -8.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -78.762786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.762786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.762786 (E_RNA)
where:
Base-Base interactions energy: -32.541
where: short stacking energy: -28.716
Base-Backbone interact. energy: 0.541
local terms energy: -46.763408
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -3.297
tors. eta vs tors. theta energy: -2.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -85.211878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.211878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.211878 (E_RNA)
where:
Base-Base interactions energy: -34.903
where: short stacking energy: -24.698
Base-Backbone interact. energy: -0.467
local terms energy: -49.842300
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -6.032
tors. eta vs tors. theta energy: -3.303
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: 10, replica: 10
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -74.607815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.607815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.607815 (E_RNA)
where:
Base-Base interactions energy: -19.775
where: short stacking energy: -18.831
Base-Backbone interact. energy: -0.946
local terms energy: -53.886344
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -11.119
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: 1, replica: 3
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -231.328174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.328174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.328174 (E_RNA)
where:
Base-Base interactions energy: -149.017
where: short stacking energy: -69.636
Base-Backbone interact. energy: 0.204
local terms energy: -82.515225
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -18.076
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -20.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -211.291746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.291746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.291746 (E_RNA)
where:
Base-Base interactions energy: -135.912
where: short stacking energy: -64.696
Base-Backbone interact. energy: -0.004
local terms energy: -75.374984
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -11.835
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: 3, replica: 4
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -221.268302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.268302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.268302 (E_RNA)
where:
Base-Base interactions energy: -142.484
where: short stacking energy: -63.893
Base-Backbone interact. energy: -0.047
local terms energy: -78.737197
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -19.007
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: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -209.199049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.199049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.199049 (E_RNA)
where:
Base-Base interactions energy: -136.114
where: short stacking energy: -63.750
Base-Backbone interact. energy: -0.144
local terms energy: -72.941169
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -4.982
tors. eta vs tors. theta energy: -22.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -192.975168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.975168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.975168 (E_RNA)
where:
Base-Base interactions energy: -117.239
where: short stacking energy: -61.013
Base-Backbone interact. energy: -0.101
local terms energy: -75.635481
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -17.032
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: 6
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -181.220397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.220397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.220397 (E_RNA)
where:
Base-Base interactions energy: -114.174
where: short stacking energy: -53.252
Base-Backbone interact. energy: 2.012
local terms energy: -69.058168
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -14.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -90.849120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.849120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.849120 (E_RNA)
where:
Base-Base interactions energy: -39.315
where: short stacking energy: -27.648
Base-Backbone interact. energy: 0.554
local terms energy: -52.087986
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -10.957
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -4.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -76.883780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.883780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.883780 (E_RNA)
where:
Base-Base interactions energy: -29.487
where: short stacking energy: -29.487
Base-Backbone interact. energy: 0.489
local terms energy: -47.886174
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -10.509
flat angles C4'-P-C4' energy: -10.730
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -5.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -81.295899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.295899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.295899 (E_RNA)
where:
Base-Base interactions energy: -29.836
where: short stacking energy: -17.551
Base-Backbone interact. energy: -0.298
local terms energy: -51.162379
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: -2.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -78.133509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.133509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.133509 (E_RNA)
where:
Base-Base interactions energy: -25.190
where: short stacking energy: -25.165
Base-Backbone interact. energy: -0.144
local terms energy: -52.799495
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -6.037
tors. eta vs tors. theta energy: -2.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -221.808004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.808004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.808004 (E_RNA)
where:
Base-Base interactions energy: -138.220
where: short stacking energy: -65.230
Base-Backbone interact. energy: -0.004
local terms energy: -83.584196
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -12.280
tors. eta vs tors. theta energy: -22.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -218.082258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.082258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.082258 (E_RNA)
where:
Base-Base interactions energy: -150.763
where: short stacking energy: -64.440
Base-Backbone interact. energy: -0.385
local terms energy: -66.934542
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -14.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -216.438174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.438174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.438174 (E_RNA)
where:
Base-Base interactions energy: -143.810
where: short stacking energy: -62.768
Base-Backbone interact. energy: -0.294
local terms energy: -72.334315
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -18.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -211.559735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.559735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.559735 (E_RNA)
where:
Base-Base interactions energy: -140.786
where: short stacking energy: -63.192
Base-Backbone interact. energy: -0.144
local terms energy: -70.629593
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -3.257
tors. eta vs tors. theta energy: -21.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -201.122622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.122622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.122622 (E_RNA)
where:
Base-Base interactions energy: -130.026
where: short stacking energy: -64.776
Base-Backbone interact. energy: -0.076
local terms energy: -71.019696
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -11.819
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -19.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -179.813396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.813396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.813396 (E_RNA)
where:
Base-Base interactions energy: -118.596
where: short stacking energy: -59.454
Base-Backbone interact. energy: -0.036
local terms energy: -61.181837
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -15.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -85.168361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.168361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.168361 (E_RNA)
where:
Base-Base interactions energy: -39.159
where: short stacking energy: -25.722
Base-Backbone interact. energy: 6.405
local terms energy: -52.415038
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: -4.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -84.002431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.002431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.002431 (E_RNA)
where:
Base-Base interactions energy: -27.112
where: short stacking energy: -23.682
Base-Backbone interact. energy: -0.100
local terms energy: -56.790991
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -4.884
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: 9, replica: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -83.463287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.463287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.463287 (E_RNA)
where:
Base-Base interactions energy: -25.954
where: short stacking energy: -25.954
Base-Backbone interact. energy: -0.003
local terms energy: -57.506518
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -4.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -75.933987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.933987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.933987 (E_RNA)
where:
Base-Base interactions energy: -29.886
where: short stacking energy: -26.905
Base-Backbone interact. energy: -0.327
local terms energy: -45.720560
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -9.797
flat angles C4'-P-C4' energy: -9.456
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -4.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -221.338140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.338140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.338140 (E_RNA)
where:
Base-Base interactions energy: -151.670
where: short stacking energy: -71.490
Base-Backbone interact. energy: -0.036
local terms energy: -69.632165
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -9.734
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -17.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -229.831920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.831920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.831920 (E_RNA)
where:
Base-Base interactions energy: -157.560
where: short stacking energy: -67.352
Base-Backbone interact. energy: 1.376
local terms energy: -73.648152
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -17.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -221.641057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.641057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.641057 (E_RNA)
where:
Base-Base interactions energy: -140.527
where: short stacking energy: -69.266
Base-Backbone interact. energy: -0.007
local terms energy: -81.107082
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -21.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -207.626419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.626419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.626419 (E_RNA)
where:
Base-Base interactions energy: -137.476
where: short stacking energy: -61.241
Base-Backbone interact. energy: -0.419
local terms energy: -69.730925
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -5.807
tors. eta vs tors. theta energy: -18.338
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: 1
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -208.143908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.143908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.143908 (E_RNA)
where:
Base-Base interactions energy: -138.137
where: short stacking energy: -63.165
Base-Backbone interact. energy: -0.037
local terms energy: -69.970614
where:
bonds (distance) C4'-P energy: -10.001
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -19.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -192.545130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.545130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.545130 (E_RNA)
where:
Base-Base interactions energy: -131.592
where: short stacking energy: -63.751
Base-Backbone interact. energy: -0.088
local terms energy: -60.865412
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -9.794
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -13.708
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: 98
Temperature: 1.200000
Total energy: -86.451154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.451154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.451154 (E_RNA)
where:
Base-Base interactions energy: -39.523
where: short stacking energy: -34.281
Base-Backbone interact. energy: 3.132
local terms energy: -50.059893
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -7.621
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -82.466624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.466624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.466624 (E_RNA)
where:
Base-Base interactions energy: -29.670
where: short stacking energy: -21.415
Base-Backbone interact. energy: -0.265
local terms energy: -52.531570
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -7.001
tors. eta vs tors. theta energy: 0.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -85.162378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.162378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.162378 (E_RNA)
where:
Base-Base interactions energy: -38.147
where: short stacking energy: -33.228
Base-Backbone interact. energy: -0.164
local terms energy: -46.851558
where:
bonds (distance) C4'-P energy: -10.887
bonds (distance) P-C4' energy: -8.408
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -7.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -75.992114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.992114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.992114 (E_RNA)
where:
Base-Base interactions energy: -24.436
where: short stacking energy: -16.851
Base-Backbone interact. energy: -0.550
local terms energy: -51.006810
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -10.306
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -5.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -228.310154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.310154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.310154 (E_RNA)
where:
Base-Base interactions energy: -158.945
where: short stacking energy: -65.368
Base-Backbone interact. energy: -0.009
local terms energy: -69.355643
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -19.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -221.701326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.701326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.701326 (E_RNA)
where:
Base-Base interactions energy: -143.125
where: short stacking energy: -65.440
Base-Backbone interact. energy: -0.565
local terms energy: -78.011854
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -22.435
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: 3
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -214.696814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.696814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.696814 (E_RNA)
where:
Base-Base interactions energy: -146.655
where: short stacking energy: -61.637
Base-Backbone interact. energy: -0.012
local terms energy: -68.029112
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -19.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -215.386572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.386572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.386572 (E_RNA)
where:
Base-Base interactions energy: -149.504
where: short stacking energy: -61.655
Base-Backbone interact. energy: -0.121
local terms energy: -65.761326
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -9.033
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -18.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -205.929022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.929022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.929022 (E_RNA)
where:
Base-Base interactions energy: -133.683
where: short stacking energy: -56.075
Base-Backbone interact. energy: -0.070
local terms energy: -72.176114
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -17.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -168.925616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.925616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.925616 (E_RNA)
where:
Base-Base interactions energy: -105.377
where: short stacking energy: -51.304
Base-Backbone interact. energy: -0.008
local terms energy: -63.540435
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -10.420
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: 10
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -88.341071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.341071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.341071 (E_RNA)
where:
Base-Base interactions energy: -37.160
where: short stacking energy: -22.246
Base-Backbone interact. energy: -0.203
local terms energy: -50.978080
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -5.764
tors. eta vs tors. theta energy: -0.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -80.870329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.870329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.870329 (E_RNA)
where:
Base-Base interactions energy: -33.757
where: short stacking energy: -15.364
Base-Backbone interact. energy: -0.254
local terms energy: -46.859373
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: 3.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -73.002489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.002489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.002489 (E_RNA)
where:
Base-Base interactions energy: -27.142
where: short stacking energy: -27.142
Base-Backbone interact. energy: -0.798
local terms energy: -45.062248
where:
bonds (distance) C4'-P energy: -8.889
bonds (distance) P-C4' energy: -12.287
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -9.345
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: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -85.137296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.137296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.137296 (E_RNA)
where:
Base-Base interactions energy: -29.140
where: short stacking energy: -18.229
Base-Backbone interact. energy: -0.153
local terms energy: -55.843566
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -0.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -228.438961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.438961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.438961 (E_RNA)
where:
Base-Base interactions energy: -155.379
where: short stacking energy: -65.972
Base-Backbone interact. energy: 0.267
local terms energy: -73.327651
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -17.453
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: 4
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -216.146243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.146243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.146243 (E_RNA)
where:
Base-Base interactions energy: -144.181
where: short stacking energy: -66.577
Base-Backbone interact. energy: -0.049
local terms energy: -71.916034
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -21.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -219.901192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.901192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.901192 (E_RNA)
where:
Base-Base interactions energy: -145.582
where: short stacking energy: -57.932
Base-Backbone interact. energy: -0.111
local terms energy: -74.208239
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -18.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -211.517361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.517361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.517361 (E_RNA)
where:
Base-Base interactions energy: -134.301
where: short stacking energy: -59.731
Base-Backbone interact. energy: -0.002
local terms energy: -77.214365
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -20.125
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: 1
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -202.485035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.485035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.485035 (E_RNA)
where:
Base-Base interactions energy: -141.255
where: short stacking energy: -62.779
Base-Backbone interact. energy: -0.281
local terms energy: -60.948566
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -7.866
flat angles P-C4'-P energy: -4.949
tors. eta vs tors. theta energy: -19.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -169.523496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.523496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.523496 (E_RNA)
where:
Base-Base interactions energy: -113.530
where: short stacking energy: -48.996
Base-Backbone interact. energy: 0.504
local terms energy: -56.497247
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -11.004
flat angles C4'-P-C4' energy: -2.189
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -13.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -83.914915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.914915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.914915 (E_RNA)
where:
Base-Base interactions energy: -33.461
where: short stacking energy: -21.074
Base-Backbone interact. energy: -0.059
local terms energy: -50.394897
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -1.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -95.431711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.431711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.431711 (E_RNA)
where:
Base-Base interactions energy: -51.129
where: short stacking energy: -19.924
Base-Backbone interact. energy: -0.867
local terms energy: -43.434970
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -9.601
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: 0.584
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: 9, replica: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -78.124406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.124406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.124406 (E_RNA)
where:
Base-Base interactions energy: -26.872
where: short stacking energy: -26.872
Base-Backbone interact. energy: -0.086
local terms energy: -51.167192
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -10.431
flat angles P-C4'-P energy: -6.326
tors. eta vs tors. theta energy: -4.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -75.742091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.742091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.742091 (E_RNA)
where:
Base-Base interactions energy: -29.216
where: short stacking energy: -26.374
Base-Backbone interact. energy: -0.788
local terms energy: -45.737527
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -6.532
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -3.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -225.755520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.755520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.755520 (E_RNA)
where:
Base-Base interactions energy: -158.556
where: short stacking energy: -64.685
Base-Backbone interact. energy: -0.036
local terms energy: -67.164100
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -9.795
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -15.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -216.802663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.802663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.802663 (E_RNA)
where:
Base-Base interactions energy: -142.853
where: short stacking energy: -65.956
Base-Backbone interact. energy: -0.122
local terms energy: -73.828201
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -17.923
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: 4
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -212.704555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.704555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.704555 (E_RNA)
where:
Base-Base interactions energy: -140.530
where: short stacking energy: -68.143
Base-Backbone interact. energy: -0.031
local terms energy: -72.143502
where:
bonds (distance) C4'-P energy: -9.815
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -18.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -208.260962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.260962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.260962 (E_RNA)
where:
Base-Base interactions energy: -142.854
where: short stacking energy: -64.603
Base-Backbone interact. energy: 1.066
local terms energy: -66.473436
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -4.360
tors. eta vs tors. theta energy: -19.160
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: 1
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -205.017860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.017860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.017860 (E_RNA)
where:
Base-Base interactions energy: -136.674
where: short stacking energy: -59.546
Base-Backbone interact. energy: -0.946
local terms energy: -67.397650
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -16.973
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: 6, replica: 6
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -171.996646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.996646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.996646 (E_RNA)
where:
Base-Base interactions energy: -105.205
where: short stacking energy: -50.871
Base-Backbone interact. energy: -0.502
local terms energy: -66.289801
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -15.066
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: 10
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -79.126955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.126955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.126955 (E_RNA)
where:
Base-Base interactions energy: -34.856
where: short stacking energy: -34.856
Base-Backbone interact. energy: -0.345
local terms energy: -43.925962
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -1.357
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -4.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -91.837672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.837672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.837672 (E_RNA)
where:
Base-Base interactions energy: -41.605
where: short stacking energy: -25.828
Base-Backbone interact. energy: 0.158
local terms energy: -50.390486
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -6.089
tors. eta vs tors. theta energy: -3.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -78.270160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.270160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.270160 (E_RNA)
where:
Base-Base interactions energy: -35.083
where: short stacking energy: -25.585
Base-Backbone interact. energy: -0.076
local terms energy: -43.110822
where:
bonds (distance) C4'-P energy: -3.976
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -10.361
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -3.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -66.973434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.973434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.973434 (E_RNA)
where:
Base-Base interactions energy: -17.994
where: short stacking energy: -17.551
Base-Backbone interact. energy: -0.726
local terms energy: -48.253360
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -0.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -235.545383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.545383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.545383 (E_RNA)
where:
Base-Base interactions energy: -156.328
where: short stacking energy: -70.522
Base-Backbone interact. energy: -0.178
local terms energy: -79.039508
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -21.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -223.639569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.639569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.639569 (E_RNA)
where:
Base-Base interactions energy: -152.268
where: short stacking energy: -61.723
Base-Backbone interact. energy: -0.308
local terms energy: -71.063129
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -13.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -216.721917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.721917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.721917 (E_RNA)
where:
Base-Base interactions energy: -141.458
where: short stacking energy: -75.917
Base-Backbone interact. energy: -0.001
local terms energy: -75.262549
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -20.600
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: 4
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -218.046704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.046704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.046704 (E_RNA)
where:
Base-Base interactions energy: -146.634
where: short stacking energy: -63.545
Base-Backbone interact. energy: 0.138
local terms energy: -71.550163
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -15.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -194.426444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.426444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.426444 (E_RNA)
where:
Base-Base interactions energy: -128.152
where: short stacking energy: -60.529
Base-Backbone interact. energy: -0.129
local terms energy: -66.144834
where:
bonds (distance) C4'-P energy: -9.710
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -18.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -159.999674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.999674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.999674 (E_RNA)
where:
Base-Base interactions energy: -99.926
where: short stacking energy: -51.870
Base-Backbone interact. energy: -0.050
local terms energy: -60.024225
where:
bonds (distance) C4'-P energy: -9.503
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -12.097
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: 102
Temperature: 1.200000
Total energy: -97.863205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.863205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.863205 (E_RNA)
where:
Base-Base interactions energy: -32.714
where: short stacking energy: -32.714
Base-Backbone interact. energy: -0.116
local terms energy: -65.033025
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -8.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -82.441527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.441527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.441527 (E_RNA)
where:
Base-Base interactions energy: -36.558
where: short stacking energy: -29.538
Base-Backbone interact. energy: 0.309
local terms energy: -46.192906
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: 0.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -73.185194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.185194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.185194 (E_RNA)
where:
Base-Base interactions energy: -27.790
where: short stacking energy: -26.572
Base-Backbone interact. energy: -0.073
local terms energy: -45.322056
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -11.413
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: 1.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -68.682759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.682759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.682759 (E_RNA)
where:
Base-Base interactions energy: -27.168
where: short stacking energy: -25.675
Base-Backbone interact. energy: -0.292
local terms energy: -41.223558
where:
bonds (distance) C4'-P energy: -10.398
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -6.525
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -0.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -223.022197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.022197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.022197 (E_RNA)
where:
Base-Base interactions energy: -147.355
where: short stacking energy: -62.116
Base-Backbone interact. energy: -0.121
local terms energy: -75.545786
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -20.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -224.055600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.055600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.055600 (E_RNA)
where:
Base-Base interactions energy: -157.893
where: short stacking energy: -66.682
Base-Backbone interact. energy: -0.126
local terms energy: -66.036501
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -11.524
flat angles C4'-P-C4' energy: -9.933
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -19.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -224.387869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.387869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.387869 (E_RNA)
where:
Base-Base interactions energy: -143.268
where: short stacking energy: -68.666
Base-Backbone interact. energy: -0.003
local terms energy: -81.116334
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -20.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -211.055430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.055430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.055430 (E_RNA)
where:
Base-Base interactions energy: -135.493
where: short stacking energy: -71.139
Base-Backbone interact. energy: -0.005
local terms energy: -75.557591
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -21.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -191.549830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.549830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.549830 (E_RNA)
where:
Base-Base interactions energy: -132.698
where: short stacking energy: -53.541
Base-Backbone interact. energy: -0.066
local terms energy: -58.785500
where:
bonds (distance) C4'-P energy: -6.912
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -15.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -180.380902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.380902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.380902 (E_RNA)
where:
Base-Base interactions energy: -119.285
where: short stacking energy: -47.994
Base-Backbone interact. energy: -0.633
local terms energy: -60.462878
where:
bonds (distance) C4'-P energy: -9.326
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -10.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -92.185387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.185387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.185387 (E_RNA)
where:
Base-Base interactions energy: -38.338
where: short stacking energy: -22.405
Base-Backbone interact. energy: -0.613
local terms energy: -53.234353
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: 0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -93.466780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.466780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.466780 (E_RNA)
where:
Base-Base interactions energy: -35.621
where: short stacking energy: -34.604
Base-Backbone interact. energy: -1.116
local terms energy: -56.729913
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -7.720
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: 10
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -74.541514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.541514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.541514 (E_RNA)
where:
Base-Base interactions energy: -28.863
where: short stacking energy: -29.063
Base-Backbone interact. energy: 0.174
local terms energy: -45.852051
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -1.705
tors. eta vs tors. theta energy: -2.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -77.128764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.128764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.128764 (E_RNA)
where:
Base-Base interactions energy: -29.369
where: short stacking energy: -24.032
Base-Backbone interact. energy: -1.149
local terms energy: -46.610685
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -10.505
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -1.009
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: 1, replica: 2
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -223.737867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.737867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.737867 (E_RNA)
where:
Base-Base interactions energy: -153.693
where: short stacking energy: -64.106
Base-Backbone interact. energy: -0.130
local terms energy: -69.914258
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -17.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -208.919264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.919264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.919264 (E_RNA)
where:
Base-Base interactions energy: -133.815
where: short stacking energy: -57.389
Base-Backbone interact. energy: -0.096
local terms energy: -75.008339
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -22.050
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: 3
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -218.724695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.724695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.724695 (E_RNA)
where:
Base-Base interactions energy: -140.372
where: short stacking energy: -67.909
Base-Backbone interact. energy: -0.321
local terms energy: -78.032005
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -5.272
tors. eta vs tors. theta energy: -22.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -199.543906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.543906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.543906 (E_RNA)
where:
Base-Base interactions energy: -127.956
where: short stacking energy: -57.623
Base-Backbone interact. energy: -0.345
local terms energy: -71.242596
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -18.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -208.289984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.289984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.289984 (E_RNA)
where:
Base-Base interactions energy: -139.719
where: short stacking energy: -56.526
Base-Backbone interact. energy: -0.144
local terms energy: -68.427413
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -16.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -191.302627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.302627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.302627 (E_RNA)
where:
Base-Base interactions energy: -119.057
where: short stacking energy: -57.761
Base-Backbone interact. energy: -0.176
local terms energy: -72.070552
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -17.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -85.202434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.202434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.202434 (E_RNA)
where:
Base-Base interactions energy: -44.146
where: short stacking energy: -28.130
Base-Backbone interact. energy: -0.164
local terms energy: -40.892893
where:
bonds (distance) C4'-P energy: -7.455
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -10.285
flat angles P-C4'-P energy: -6.936
tors. eta vs tors. theta energy: -3.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -84.949513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.949513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.949513 (E_RNA)
where:
Base-Base interactions energy: -33.919
where: short stacking energy: -33.277
Base-Backbone interact. energy: -0.009
local terms energy: -51.021744
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -11.199
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -4.998
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: 9
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -106.328746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.328746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.328746 (E_RNA)
where:
Base-Base interactions energy: -63.056
where: short stacking energy: -35.040
Base-Backbone interact. energy: -0.117
local terms energy: -43.155852
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -8.426
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -3.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -75.341272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.341272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.341272 (E_RNA)
where:
Base-Base interactions energy: -26.465
where: short stacking energy: -25.940
Base-Backbone interact. energy: -0.004
local terms energy: -48.872053
where:
bonds (distance) C4'-P energy: -14.146
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -5.515
tors. eta vs tors. theta energy: 1.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -222.023841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.023841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.023841 (E_RNA)
where:
Base-Base interactions energy: -146.507
where: short stacking energy: -70.884
Base-Backbone interact. energy: -0.412
local terms energy: -75.104427
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -21.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -215.357662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.357662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.357662 (E_RNA)
where:
Base-Base interactions energy: -142.868
where: short stacking energy: -67.914
Base-Backbone interact. energy: -0.009
local terms energy: -72.480515
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -21.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -219.253593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.253593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.253593 (E_RNA)
where:
Base-Base interactions energy: -148.272
where: short stacking energy: -65.572
Base-Backbone interact. energy: -0.633
local terms energy: -70.348819
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -16.187
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: 4, replica: 6
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -192.497553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.497553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.497553 (E_RNA)
where:
Base-Base interactions energy: -123.278
where: short stacking energy: -60.563
Base-Backbone interact. energy: -0.230
local terms energy: -68.989614
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -12.287
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -22.536
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: 4
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -205.175637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.175637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.175637 (E_RNA)
where:
Base-Base interactions energy: -132.281
where: short stacking energy: -64.426
Base-Backbone interact. energy: -0.049
local terms energy: -72.845373
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -19.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -201.922455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.922455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.922455 (E_RNA)
where:
Base-Base interactions energy: -129.472
where: short stacking energy: -57.969
Base-Backbone interact. energy: -0.002
local terms energy: -72.447975
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -17.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -101.452206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.452206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.452206 (E_RNA)
where:
Base-Base interactions energy: -52.356
where: short stacking energy: -31.274
Base-Backbone interact. energy: -0.218
local terms energy: -48.878473
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -3.814
tors. eta vs tors. theta energy: -2.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -105.381905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.381905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.381905 (E_RNA)
where:
Base-Base interactions energy: -51.149
where: short stacking energy: -23.583
Base-Backbone interact. energy: 0.610
local terms energy: -54.842842
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -9.530
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -3.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -84.707060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.707060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.707060 (E_RNA)
where:
Base-Base interactions energy: -37.444
where: short stacking energy: -36.028
Base-Backbone interact. energy: -0.905
local terms energy: -46.357926
where:
bonds (distance) C4'-P energy: -10.531
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -11.863
flat angles P-C4'-P energy: -5.282
tors. eta vs tors. theta energy: -3.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -77.219334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.219334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.219334 (E_RNA)
where:
Base-Base interactions energy: -29.843
where: short stacking energy: -28.274
Base-Backbone interact. energy: -0.013
local terms energy: -47.363446
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -0.642
tors. eta vs tors. theta energy: -4.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -230.896763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.896763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.896763 (E_RNA)
where:
Base-Base interactions energy: -152.934
where: short stacking energy: -60.553
Base-Backbone interact. energy: 0.023
local terms energy: -77.986331
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -19.848
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: 2, replica: 2
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -215.400846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.400846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.400846 (E_RNA)
where:
Base-Base interactions energy: -137.550
where: short stacking energy: -63.041
Base-Backbone interact. energy: 0.429
local terms energy: -78.280595
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -17.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -206.850826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.850826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.850826 (E_RNA)
where:
Base-Base interactions energy: -134.255
where: short stacking energy: -66.468
Base-Backbone interact. energy: -0.015
local terms energy: -72.580741
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -21.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -211.016951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.016951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.016951 (E_RNA)
where:
Base-Base interactions energy: -135.647
where: short stacking energy: -59.911
Base-Backbone interact. energy: -0.037
local terms energy: -75.332558
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -20.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -199.975185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.975185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.975185 (E_RNA)
where:
Base-Base interactions energy: -122.478
where: short stacking energy: -54.850
Base-Backbone interact. energy: -0.012
local terms energy: -77.484924
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -18.055
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: 6, replica: 4
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -170.727684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.727684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.727684 (E_RNA)
where:
Base-Base interactions energy: -110.353
where: short stacking energy: -51.104
Base-Backbone interact. energy: -0.005
local terms energy: -60.369545
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -12.411
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: 7, replica: 9
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -89.052968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.052968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.052968 (E_RNA)
where:
Base-Base interactions energy: -35.649
where: short stacking energy: -35.649
Base-Backbone interact. energy: -0.000
local terms energy: -53.403818
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -7.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -81.423880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.423880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.423880 (E_RNA)
where:
Base-Base interactions energy: -30.627
where: short stacking energy: -28.771
Base-Backbone interact. energy: -0.148
local terms energy: -50.649493
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -3.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -73.487171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.487171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.487171 (E_RNA)
where:
Base-Base interactions energy: -23.996
where: short stacking energy: -19.641
Base-Backbone interact. energy: 1.374
local terms energy: -50.865054
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -18.413
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -4.810
tors. eta vs tors. theta energy: -1.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -72.049419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.049419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.049419 (E_RNA)
where:
Base-Base interactions energy: -30.200
where: short stacking energy: -23.889
Base-Backbone interact. energy: -0.155
local terms energy: -41.694756
where:
bonds (distance) C4'-P energy: -8.178
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -4.685
tors. eta vs tors. theta energy: 1.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -230.830818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.830818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.830818 (E_RNA)
where:
Base-Base interactions energy: -155.906
where: short stacking energy: -62.773
Base-Backbone interact. energy: 0.377
local terms energy: -75.301501
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -20.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -210.724413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.724413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.724413 (E_RNA)
where:
Base-Base interactions energy: -135.347
where: short stacking energy: -68.754
Base-Backbone interact. energy: -0.164
local terms energy: -75.213572
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -20.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -220.699050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.699050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.699050 (E_RNA)
where:
Base-Base interactions energy: -149.378
where: short stacking energy: -66.445
Base-Backbone interact. energy: -0.011
local terms energy: -71.309909
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -20.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -211.076161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.076161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.076161 (E_RNA)
where:
Base-Base interactions energy: -148.401
where: short stacking energy: -70.737
Base-Backbone interact. energy: -0.001
local terms energy: -62.674271
where:
bonds (distance) C4'-P energy: -11.934
bonds (distance) P-C4' energy: -7.666
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -6.515
tors. eta vs tors. theta energy: -22.233
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: 5, replica: 1
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -203.650364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.650364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.650364 (E_RNA)
where:
Base-Base interactions energy: -128.714
where: short stacking energy: -60.202
Base-Backbone interact. energy: -0.065
local terms energy: -74.871058
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -20.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -185.621107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.621107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.621107 (E_RNA)
where:
Base-Base interactions energy: -121.181
where: short stacking energy: -53.505
Base-Backbone interact. energy: -0.051
local terms energy: -64.389712
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -15.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -95.915194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.915194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.915194 (E_RNA)
where:
Base-Base interactions energy: -41.216
where: short stacking energy: -38.088
Base-Backbone interact. energy: -0.654
local terms energy: -54.045447
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -5.808
tors. eta vs tors. theta energy: -3.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -99.152629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.152629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.152629 (E_RNA)
where:
Base-Base interactions energy: -47.178
where: short stacking energy: -19.737
Base-Backbone interact. energy: -1.900
local terms energy: -50.074472
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -8.299
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -1.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -76.813499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.813499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.813499 (E_RNA)
where:
Base-Base interactions energy: -27.444
where: short stacking energy: -19.118
Base-Backbone interact. energy: -0.239
local terms energy: -49.130835
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -8.765
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -7.142
tors. eta vs tors. theta energy: -5.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -75.976552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.976552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.976552 (E_RNA)
where:
Base-Base interactions energy: -31.225
where: short stacking energy: -13.024
Base-Backbone interact. energy: -0.569
local terms energy: -44.182546
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: 4.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -213.001918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.001918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.001918 (E_RNA)
where:
Base-Base interactions energy: -137.750
where: short stacking energy: -61.905
Base-Backbone interact. energy: -0.078
local terms energy: -75.174280
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -16.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -212.067657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.067657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.067657 (E_RNA)
where:
Base-Base interactions energy: -134.518
where: short stacking energy: -58.703
Base-Backbone interact. energy: -0.027
local terms energy: -77.522765
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -18.501
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: 108
Temperature: 1.000000
Total energy: -217.632222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.632222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.632222 (E_RNA)
where:
Base-Base interactions energy: -146.261
where: short stacking energy: -60.165
Base-Backbone interact. energy: -0.035
local terms energy: -71.336241
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -15.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -212.281631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.281631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.281631 (E_RNA)
where:
Base-Base interactions energy: -139.708
where: short stacking energy: -61.458
Base-Backbone interact. energy: -0.094
local terms energy: -72.479549
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -10.911
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -20.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -191.228053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.228053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.228053 (E_RNA)
where:
Base-Base interactions energy: -124.324
where: short stacking energy: -55.835
Base-Backbone interact. energy: -0.132
local terms energy: -66.772540
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -15.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -209.021641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.021641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.021641 (E_RNA)
where:
Base-Base interactions energy: -137.714
where: short stacking energy: -56.782
Base-Backbone interact. energy: -0.030
local terms energy: -71.278022
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -17.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -89.155524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.155524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.155524 (E_RNA)
where:
Base-Base interactions energy: -39.676
where: short stacking energy: -34.570
Base-Backbone interact. energy: -0.086
local terms energy: -49.393519
where:
bonds (distance) C4'-P energy: -9.802
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -3.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -83.957779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.957779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.957779 (E_RNA)
where:
Base-Base interactions energy: -36.014
where: short stacking energy: -24.526
Base-Backbone interact. energy: 0.844
local terms energy: -48.788263
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -6.676
tors. eta vs tors. theta energy: -1.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -80.036180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.036180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.036180 (E_RNA)
where:
Base-Base interactions energy: -35.580
where: short stacking energy: -20.512
Base-Backbone interact. energy: -0.272
local terms energy: -44.184332
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -6.100
tors. eta vs tors. theta energy: 1.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -69.143197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.143197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.143197 (E_RNA)
where:
Base-Base interactions energy: -23.029
where: short stacking energy: -14.119
Base-Backbone interact. energy: -0.104
local terms energy: -46.009707
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -11.991
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -6.218
tors. eta vs tors. theta energy: 0.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -204.073550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.073550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.073550 (E_RNA)
where:
Base-Base interactions energy: -131.690
where: short stacking energy: -57.605
Base-Backbone interact. energy: -0.218
local terms energy: -72.165429
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -13.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -216.928701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.928701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.928701 (E_RNA)
where:
Base-Base interactions energy: -146.676
where: short stacking energy: -61.032
Base-Backbone interact. energy: -0.127
local terms energy: -70.125760
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -15.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -212.197693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.197693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.197693 (E_RNA)
where:
Base-Base interactions energy: -136.406
where: short stacking energy: -65.607
Base-Backbone interact. energy: 0.236
local terms energy: -76.027806
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -17.085
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -19.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -204.929203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.929203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.929203 (E_RNA)
where:
Base-Base interactions energy: -138.279
where: short stacking energy: -62.139
Base-Backbone interact. energy: -0.238
local terms energy: -66.413125
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -16.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -180.612230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.612230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.612230 (E_RNA)
where:
Base-Base interactions energy: -122.389
where: short stacking energy: -51.216
Base-Backbone interact. energy: -0.207
local terms energy: -58.016702
where:
bonds (distance) C4'-P energy: -6.870
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -15.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -191.734548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.734548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.734548 (E_RNA)
where:
Base-Base interactions energy: -123.050
where: short stacking energy: -63.858
Base-Backbone interact. energy: -0.428
local terms energy: -68.256589
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -6.064
tors. eta vs tors. theta energy: -18.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -96.840922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.840922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.840922 (E_RNA)
where:
Base-Base interactions energy: -36.777
where: short stacking energy: -36.777
Base-Backbone interact. energy: -0.141
local terms energy: -59.922100
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -4.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -88.668076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.668076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.668076 (E_RNA)
where:
Base-Base interactions energy: -39.307
where: short stacking energy: -27.014
Base-Backbone interact. energy: 0.076
local terms energy: -49.436782
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -5.458
tors. eta vs tors. theta energy: -0.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -79.420538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.420538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.420538 (E_RNA)
where:
Base-Base interactions energy: -33.459
where: short stacking energy: -29.022
Base-Backbone interact. energy: -0.114
local terms energy: -45.847711
where:
bonds (distance) C4'-P energy: -10.933
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -4.354
tors. eta vs tors. theta energy: -4.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -81.778566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.778566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.778566 (E_RNA)
where:
Base-Base interactions energy: -32.214
where: short stacking energy: -26.086
Base-Backbone interact. energy: -0.057
local terms energy: -49.508050
where:
bonds (distance) C4'-P energy: -10.473
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -4.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -225.302851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.302851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.302851 (E_RNA)
where:
Base-Base interactions energy: -154.599
where: short stacking energy: -64.957
Base-Backbone interact. energy: -0.017
local terms energy: -70.686891
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -16.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -210.160982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.160982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.160982 (E_RNA)
where:
Base-Base interactions energy: -139.027
where: short stacking energy: -59.550
Base-Backbone interact. energy: -0.212
local terms energy: -70.921637
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -17.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -219.574221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.574221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.574221 (E_RNA)
where:
Base-Base interactions energy: -147.658
where: short stacking energy: -68.676
Base-Backbone interact. energy: -0.201
local terms energy: -71.715450
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -20.403
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: 2
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -208.313207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.313207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.313207 (E_RNA)
where:
Base-Base interactions energy: -131.087
where: short stacking energy: -57.954
Base-Backbone interact. energy: -0.125
local terms energy: -77.101224
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -15.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -176.217300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.217300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.217300 (E_RNA)
where:
Base-Base interactions energy: -110.340
where: short stacking energy: -47.504
Base-Backbone interact. energy: -0.034
local terms energy: -65.843071
where:
bonds (distance) C4'-P energy: -11.215
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -15.769
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: 6, replica: 4
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -167.540520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.540520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.540520 (E_RNA)
where:
Base-Base interactions energy: -112.551
where: short stacking energy: -41.352
Base-Backbone interact. energy: -0.139
local terms energy: -54.851038
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -8.746
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -7.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -93.245138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.245138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.245138 (E_RNA)
where:
Base-Base interactions energy: -36.439
where: short stacking energy: -35.962
Base-Backbone interact. energy: -0.199
local terms energy: -56.607445
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -9.732
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -9.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -88.395150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.395150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.395150 (E_RNA)
where:
Base-Base interactions energy: -31.681
where: short stacking energy: -31.459
Base-Backbone interact. energy: -0.114
local terms energy: -56.599974
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -4.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -80.709679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.709679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.709679 (E_RNA)
where:
Base-Base interactions energy: -27.497
where: short stacking energy: -22.257
Base-Backbone interact. energy: -0.108
local terms energy: -53.104941
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -11.820
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -3.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -87.042886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.042886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.042886 (E_RNA)
where:
Base-Base interactions energy: -37.451
where: short stacking energy: -37.451
Base-Backbone interact. energy: -0.082
local terms energy: -49.509593
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -11.291
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -225.274276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.274276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.274276 (E_RNA)
where:
Base-Base interactions energy: -149.568
where: short stacking energy: -64.978
Base-Backbone interact. energy: -0.011
local terms energy: -75.694955
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -17.482
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -212.798185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.798185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.798185 (E_RNA)
where:
Base-Base interactions energy: -137.008
where: short stacking energy: -60.989
Base-Backbone interact. energy: -0.021
local terms energy: -75.768810
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -17.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -211.569592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.569592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.569592 (E_RNA)
where:
Base-Base interactions energy: -143.374
where: short stacking energy: -66.218
Base-Backbone interact. energy: -0.050
local terms energy: -68.146315
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -16.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -213.634378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.634378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.634378 (E_RNA)
where:
Base-Base interactions energy: -138.896
where: short stacking energy: -70.376
Base-Backbone interact. energy: -0.089
local terms energy: -74.649231
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -19.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -185.241883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.241883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.241883 (E_RNA)
where:
Base-Base interactions energy: -116.589
where: short stacking energy: -50.724
Base-Backbone interact. energy: -0.068
local terms energy: -68.585013
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -12.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -188.515784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.515784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.515784 (E_RNA)
where:
Base-Base interactions energy: -119.760
where: short stacking energy: -53.137
Base-Backbone interact. energy: -0.076
local terms energy: -68.679041
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -16.530
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: 7, replica: 9
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -89.574417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.574417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.574417 (E_RNA)
where:
Base-Base interactions energy: -37.704
where: short stacking energy: -37.704
Base-Backbone interact. energy: -0.056
local terms energy: -51.814621
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -3.757
tors. eta vs tors. theta energy: -6.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -76.530279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.530279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.530279 (E_RNA)
where:
Base-Base interactions energy: -24.524
where: short stacking energy: -20.579
Base-Backbone interact. energy: -0.091
local terms energy: -51.915163
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -13.460
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -0.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -86.469759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.469759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.469759 (E_RNA)
where:
Base-Base interactions energy: -34.011
where: short stacking energy: -23.930
Base-Backbone interact. energy: -1.083
local terms energy: -51.375209
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: 0.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -81.239061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.239061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.239061 (E_RNA)
where:
Base-Base interactions energy: -23.358
where: short stacking energy: -23.358
Base-Backbone interact. energy: -0.433
local terms energy: -57.447633
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -10.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -227.285159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.285159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.285159 (E_RNA)
where:
Base-Base interactions energy: -151.408
where: short stacking energy: -66.750
Base-Backbone interact. energy: -0.003
local terms energy: -75.874056
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -17.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -214.828586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.828586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.828586 (E_RNA)
where:
Base-Base interactions energy: -144.910
where: short stacking energy: -71.663
Base-Backbone interact. energy: -0.169
local terms energy: -69.749655
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -10.067
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -20.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -222.561593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.561593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.561593 (E_RNA)
where:
Base-Base interactions energy: -154.790
where: short stacking energy: -67.403
Base-Backbone interact. energy: -0.171
local terms energy: -67.600844
where:
bonds (distance) C4'-P energy: -8.010
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -18.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -220.285014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.285014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.285014 (E_RNA)
where:
Base-Base interactions energy: -138.488
where: short stacking energy: -61.820
Base-Backbone interact. energy: -0.086
local terms energy: -81.711766
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -22.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -203.660139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.660139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.660139 (E_RNA)
where:
Base-Base interactions energy: -143.092
where: short stacking energy: -55.219
Base-Backbone interact. energy: -0.034
local terms energy: -60.534010
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -8.579
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -14.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -163.399437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.399437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.399437 (E_RNA)
where:
Base-Base interactions energy: -100.808
where: short stacking energy: -50.212
Base-Backbone interact. energy: -0.028
local terms energy: -62.563332
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -13.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -105.032768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.032768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.032768 (E_RNA)
where:
Base-Base interactions energy: -53.383
where: short stacking energy: -21.257
Base-Backbone interact. energy: -0.013
local terms energy: -51.636130
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -0.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -79.685789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.685789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.685789 (E_RNA)
where:
Base-Base interactions energy: -27.356
where: short stacking energy: -18.994
Base-Backbone interact. energy: -0.452
local terms energy: -51.877920
where:
bonds (distance) C4'-P energy: -7.243
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -5.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -76.262413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.262413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.262413 (E_RNA)
where:
Base-Base interactions energy: -23.202
where: short stacking energy: -20.503
Base-Backbone interact. energy: -0.207
local terms energy: -52.853430
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: 3.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -72.236128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.236128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.236128 (E_RNA)
where:
Base-Base interactions energy: -23.118
where: short stacking energy: -18.585
Base-Backbone interact. energy: -0.150
local terms energy: -48.968196
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: 0.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -224.346334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.346334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.346334 (E_RNA)
where:
Base-Base interactions energy: -151.585
where: short stacking energy: -69.299
Base-Backbone interact. energy: -0.005
local terms energy: -72.756829
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -17.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -214.491640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.491640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.491640 (E_RNA)
where:
Base-Base interactions energy: -138.717
where: short stacking energy: -67.258
Base-Backbone interact. energy: 1.642
local terms energy: -77.416335
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -18.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -214.539238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.539238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.539238 (E_RNA)
where:
Base-Base interactions energy: -137.174
where: short stacking energy: -66.071
Base-Backbone interact. energy: -0.018
local terms energy: -77.347293
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -20.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -202.504379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.504379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.504379 (E_RNA)
where:
Base-Base interactions energy: -136.447
where: short stacking energy: -62.090
Base-Backbone interact. energy: -0.427
local terms energy: -65.630699
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -5.232
tors. eta vs tors. theta energy: -15.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -208.039886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.039886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.039886 (E_RNA)
where:
Base-Base interactions energy: -132.239
where: short stacking energy: -65.498
Base-Backbone interact. energy: -0.092
local terms energy: -75.708878
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -21.029
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: 6, replica: 4
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -180.764751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.764751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.764751 (E_RNA)
where:
Base-Base interactions energy: -110.667
where: short stacking energy: -61.609
Base-Backbone interact. energy: -0.404
local terms energy: -69.693734
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -14.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -90.804264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.804264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.804264 (E_RNA)
where:
Base-Base interactions energy: -40.500
where: short stacking energy: -31.728
Base-Backbone interact. energy: -1.500
local terms energy: -48.804527
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -15.217
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -6.587
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: 8, replica: 10
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -87.664644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.664644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.664644 (E_RNA)
where:
Base-Base interactions energy: -31.364
where: short stacking energy: -27.494
Base-Backbone interact. energy: -0.102
local terms energy: -56.199160
where:
bonds (distance) C4'-P energy: -14.692
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -4.218
tors. eta vs tors. theta energy: -7.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -88.677728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.677728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.677728 (E_RNA)
where:
Base-Base interactions energy: -36.890
where: short stacking energy: -34.435
Base-Backbone interact. energy: 0.677
local terms energy: -52.464578
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -10.638
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -5.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -88.113969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.113969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.113969 (E_RNA)
where:
Base-Base interactions energy: -34.222
where: short stacking energy: -31.995
Base-Backbone interact. energy: -0.095
local terms energy: -53.797231
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -5.906
tors. eta vs tors. theta energy: -5.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -229.084196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.084196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.084196 (E_RNA)
where:
Base-Base interactions energy: -157.061
where: short stacking energy: -63.437
Base-Backbone interact. energy: -0.021
local terms energy: -72.002633
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -15.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -212.589891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.589891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.589891 (E_RNA)
where:
Base-Base interactions energy: -141.712
where: short stacking energy: -63.589
Base-Backbone interact. energy: -0.152
local terms energy: -70.725464
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -19.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -208.076820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.076820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.076820 (E_RNA)
where:
Base-Base interactions energy: -131.111
where: short stacking energy: -68.662
Base-Backbone interact. energy: -0.010
local terms energy: -76.955182
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -21.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -174.124780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.124780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.124780 (E_RNA)
where:
Base-Base interactions energy: -105.617
where: short stacking energy: -38.352
Base-Backbone interact. energy: -0.330
local terms energy: -68.177951
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -9.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -202.192158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.192158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.192158 (E_RNA)
where:
Base-Base interactions energy: -128.153
where: short stacking energy: -62.635
Base-Backbone interact. energy: -0.003
local terms energy: -74.036403
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -20.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -158.321624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.321624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.321624 (E_RNA)
where:
Base-Base interactions energy: -106.638
where: short stacking energy: -39.274
Base-Backbone interact. energy: -0.119
local terms energy: -51.564183
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -10.495
flat angles C4'-P-C4' energy: -10.629
flat angles P-C4'-P energy: -4.356
tors. eta vs tors. theta energy: -10.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -93.050496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.050496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.050496 (E_RNA)
where:
Base-Base interactions energy: -38.041
where: short stacking energy: -30.647
Base-Backbone interact. energy: -0.008
local terms energy: -55.001688
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -9.480
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -4.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -81.263666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.263666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.263666 (E_RNA)
where:
Base-Base interactions energy: -39.797
where: short stacking energy: -23.962
Base-Backbone interact. energy: -0.208
local terms energy: -41.258207
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: 2.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -83.222802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.222802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.222802 (E_RNA)
where:
Base-Base interactions energy: -40.267
where: short stacking energy: -22.936
Base-Backbone interact. energy: -0.032
local terms energy: -42.923485
where:
bonds (distance) C4'-P energy: -10.033
bonds (distance) P-C4' energy: -11.601
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: 0.218
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: 10, replica: 8
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -73.376796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.376796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.376796 (E_RNA)
where:
Base-Base interactions energy: -26.846
where: short stacking energy: -25.945
Base-Backbone interact. energy: -0.221
local terms energy: -46.309035
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -6.679
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: 0.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -224.128471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.128471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.128471 (E_RNA)
where:
Base-Base interactions energy: -148.204
where: short stacking energy: -67.040
Base-Backbone interact. energy: -0.000
local terms energy: -75.924816
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -19.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -225.802020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.802020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.802020 (E_RNA)
where:
Base-Base interactions energy: -152.357
where: short stacking energy: -65.719
Base-Backbone interact. energy: -0.165
local terms energy: -73.280501
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -19.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -206.295305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.295305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.295305 (E_RNA)
where:
Base-Base interactions energy: -135.059
where: short stacking energy: -64.423
Base-Backbone interact. energy: -0.261
local terms energy: -70.975275
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -10.363
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -21.155
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: 6
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -202.897161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.897161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.897161 (E_RNA)
where:
Base-Base interactions energy: -143.224
where: short stacking energy: -67.690
Base-Backbone interact. energy: -0.105
local terms energy: -59.568414
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -8.009
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -16.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -165.810612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.810612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.810612 (E_RNA)
where:
Base-Base interactions energy: -99.547
where: short stacking energy: -50.549
Base-Backbone interact. energy: -0.022
local terms energy: -66.241678
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -9.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -174.018325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.018325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.018325 (E_RNA)
where:
Base-Base interactions energy: -117.912
where: short stacking energy: -56.626
Base-Backbone interact. energy: -0.151
local terms energy: -55.955243
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -2.875
tors. eta vs tors. theta energy: -16.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -94.686254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.686254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.686254 (E_RNA)
where:
Base-Base interactions energy: -33.433
where: short stacking energy: -31.274
Base-Backbone interact. energy: -0.070
local terms energy: -61.182539
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -7.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -82.576034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.576034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.576034 (E_RNA)
where:
Base-Base interactions energy: -34.914
where: short stacking energy: -24.028
Base-Backbone interact. energy: -0.187
local terms energy: -47.475086
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: 0.266
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: 9, replica: 7
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -80.597481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.597481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.597481 (E_RNA)
where:
Base-Base interactions energy: -28.854
where: short stacking energy: -24.093
Base-Backbone interact. energy: -0.110
local terms energy: -51.633303
where:
bonds (distance) C4'-P energy: -7.250
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -7.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -86.955359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.955359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.955359 (E_RNA)
where:
Base-Base interactions energy: -30.969
where: short stacking energy: -23.550
Base-Backbone interact. energy: -0.037
local terms energy: -55.950109
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -4.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -227.931611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.931611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.931611 (E_RNA)
where:
Base-Base interactions energy: -148.498
where: short stacking energy: -68.713
Base-Backbone interact. energy: -0.092
local terms energy: -79.342015
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -20.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -218.464645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.464645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.464645 (E_RNA)
where:
Base-Base interactions energy: -142.807
where: short stacking energy: -55.289
Base-Backbone interact. energy: -0.076
local terms energy: -75.581440
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -17.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -213.661758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.661758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.661758 (E_RNA)
where:
Base-Base interactions energy: -130.799
where: short stacking energy: -64.937
Base-Backbone interact. energy: -0.029
local terms energy: -82.833308
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -21.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -207.246677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.246677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.246677 (E_RNA)
where:
Base-Base interactions energy: -128.522
where: short stacking energy: -62.844
Base-Backbone interact. energy: -0.013
local terms energy: -78.710902
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -18.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -184.275127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.275127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.275127 (E_RNA)
where:
Base-Base interactions energy: -121.957
where: short stacking energy: -63.273
Base-Backbone interact. energy: -0.002
local terms energy: -62.315621
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -12.660
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -16.777
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: 116
Temperature: 1.150000
Total energy: -142.967098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.967098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.967098 (E_RNA)
where:
Base-Base interactions energy: -90.607
where: short stacking energy: -39.360
Base-Backbone interact. energy: -0.140
local terms energy: -52.219757
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -1.604
tors. eta vs tors. theta energy: -6.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -94.041439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.041439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.041439 (E_RNA)
where:
Base-Base interactions energy: -45.094
where: short stacking energy: -19.375
Base-Backbone interact. energy: -0.034
local terms energy: -48.913017
where:
bonds (distance) C4'-P energy: -8.912
bonds (distance) P-C4' energy: -11.430
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: -10.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -76.507164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.507164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.507164 (E_RNA)
where:
Base-Base interactions energy: -34.956
where: short stacking energy: -17.294
Base-Backbone interact. energy: -0.252
local terms energy: -41.299691
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -3.628
tors. eta vs tors. theta energy: 8.458
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: 8
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -81.122971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.122971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.122971 (E_RNA)
where:
Base-Base interactions energy: -36.717
where: short stacking energy: -30.706
Base-Backbone interact. energy: 0.083
local terms energy: -44.488662
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -5.672
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -4.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -83.896625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.896625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.896625 (E_RNA)
where:
Base-Base interactions energy: -38.391
where: short stacking energy: -30.068
Base-Backbone interact. energy: -0.193
local terms energy: -45.312040
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -11.092
flat angles C4'-P-C4' energy: -10.730
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -4.650
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: 1, replica: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -226.377935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.377935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.377935 (E_RNA)
where:
Base-Base interactions energy: -150.213
where: short stacking energy: -56.164
Base-Backbone interact. energy: -0.117
local terms energy: -76.047537
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -18.113
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: 3
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -219.368840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.368840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.368840 (E_RNA)
where:
Base-Base interactions energy: -149.697
where: short stacking energy: -76.781
Base-Backbone interact. energy: -0.008
local terms energy: -69.663837
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -10.390
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -19.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -193.016055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.016055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.016055 (E_RNA)
where:
Base-Base interactions energy: -124.644
where: short stacking energy: -52.677
Base-Backbone interact. energy: -0.164
local terms energy: -68.208324
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -12.088
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: 5
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -201.210235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.210235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.210235 (E_RNA)
where:
Base-Base interactions energy: -124.938
where: short stacking energy: -55.283
Base-Backbone interact. energy: -0.035
local terms energy: -76.237302
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -20.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -183.526242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.526242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.526242 (E_RNA)
where:
Base-Base interactions energy: -114.439
where: short stacking energy: -56.925
Base-Backbone interact. energy: -0.320
local terms energy: -68.767500
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -18.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -150.321799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.321799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.321799 (E_RNA)
where:
Base-Base interactions energy: -90.932
where: short stacking energy: -48.470
Base-Backbone interact. energy: -0.044
local terms energy: -59.345608
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -8.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -82.063999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.063999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.063999 (E_RNA)
where:
Base-Base interactions energy: -25.367
where: short stacking energy: -25.367
Base-Backbone interact. energy: -0.109
local terms energy: -56.588321
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -3.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -81.543324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.543324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.543324 (E_RNA)
where:
Base-Base interactions energy: -27.668
where: short stacking energy: -27.668
Base-Backbone interact. energy: -1.016
local terms energy: -52.859761
where:
bonds (distance) C4'-P energy: -7.304
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -4.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -76.979307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.979307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.979307 (E_RNA)
where:
Base-Base interactions energy: -29.994
where: short stacking energy: -26.644
Base-Backbone interact. energy: -0.256
local terms energy: -46.729625
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -2.645
tors. eta vs tors. theta energy: -4.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -76.796647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.796647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.796647 (E_RNA)
where:
Base-Base interactions energy: -28.709
where: short stacking energy: -28.709
Base-Backbone interact. energy: 0.439
local terms energy: -48.527459
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -10.876
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -4.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -224.650222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.650222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.650222 (E_RNA)
where:
Base-Base interactions energy: -154.331
where: short stacking energy: -73.991
Base-Backbone interact. energy: -0.036
local terms energy: -70.282582
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -18.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -206.433041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.433041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.433041 (E_RNA)
where:
Base-Base interactions energy: -131.495
where: short stacking energy: -65.910
Base-Backbone interact. energy: -0.021
local terms energy: -74.917155
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -20.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -212.065905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.065905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.065905 (E_RNA)
where:
Base-Base interactions energy: -136.886
where: short stacking energy: -65.470
Base-Backbone interact. energy: -0.025
local terms energy: -75.154759
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -18.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -193.836416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.836416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.836416 (E_RNA)
where:
Base-Base interactions energy: -132.261
where: short stacking energy: -61.050
Base-Backbone interact. energy: 0.322
local terms energy: -61.897490
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -15.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -176.260151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.260151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.260151 (E_RNA)
where:
Base-Base interactions energy: -109.848
where: short stacking energy: -51.737
Base-Backbone interact. energy: -0.118
local terms energy: -66.293764
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -14.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -199.104219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.104219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.104219 (E_RNA)
where:
Base-Base interactions energy: -127.209
where: short stacking energy: -56.112
Base-Backbone interact. energy: -0.015
local terms energy: -71.880473
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -16.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -95.492228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.492228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.492228 (E_RNA)
where:
Base-Base interactions energy: -46.681
where: short stacking energy: -18.031
Base-Backbone interact. energy: -0.297
local terms energy: -48.514227
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -10.602
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -0.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -89.937422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.937422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.937422 (E_RNA)
where:
Base-Base interactions energy: -36.604
where: short stacking energy: -36.604
Base-Backbone interact. energy: -0.002
local terms energy: -53.331098
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -6.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -72.069449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.069449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.069449 (E_RNA)
where:
Base-Base interactions energy: -27.861
where: short stacking energy: -27.861
Base-Backbone interact. energy: -0.187
local terms energy: -44.021320
where:
bonds (distance) C4'-P energy: -8.972
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -7.510
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -93.518831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.518831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.518831 (E_RNA)
where:
Base-Base interactions energy: -47.966
where: short stacking energy: -21.879
Base-Backbone interact. energy: -0.263
local terms energy: -45.289622
where:
bonds (distance) C4'-P energy: -8.982
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -9.311
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -2.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -222.843849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.843849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.843849 (E_RNA)
where:
Base-Base interactions energy: -147.716
where: short stacking energy: -61.005
Base-Backbone interact. energy: -0.070
local terms energy: -75.057247
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -19.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -224.721870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.721870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.721870 (E_RNA)
where:
Base-Base interactions energy: -143.323
where: short stacking energy: -60.774
Base-Backbone interact. energy: -0.099
local terms energy: -81.300566
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -18.305
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -18.826
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: 3, replica: 5
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -215.738127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.738127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.738127 (E_RNA)
where:
Base-Base interactions energy: -136.221
where: short stacking energy: -66.647
Base-Backbone interact. energy: -0.047
local terms energy: -79.470071
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -14.561
tors. eta vs tors. theta energy: -19.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -191.466762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.466762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.466762 (E_RNA)
where:
Base-Base interactions energy: -120.260
where: short stacking energy: -56.834
Base-Backbone interact. energy: -0.288
local terms energy: -70.919240
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -17.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -204.473871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.473871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.473871 (E_RNA)
where:
Base-Base interactions energy: -136.722
where: short stacking energy: -65.729
Base-Backbone interact. energy: -0.005
local terms energy: -67.747402
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -21.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -209.097139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.097139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.097139 (E_RNA)
where:
Base-Base interactions energy: -142.734
where: short stacking energy: -69.578
Base-Backbone interact. energy: -0.001
local terms energy: -66.361493
where:
bonds (distance) C4'-P energy: -10.179
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -18.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -108.127877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.127877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.127877 (E_RNA)
where:
Base-Base interactions energy: -51.589
where: short stacking energy: -35.190
Base-Backbone interact. energy: -0.165
local terms energy: -56.373500
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -9.481
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -7.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -87.619639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.619639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.619639 (E_RNA)
where:
Base-Base interactions energy: -37.395
where: short stacking energy: -24.910
Base-Backbone interact. energy: -0.475
local terms energy: -49.749389
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -9.931
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -1.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -77.302563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.302563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.302563 (E_RNA)
where:
Base-Base interactions energy: -28.843
where: short stacking energy: -28.843
Base-Backbone interact. energy: 1.321
local terms energy: -49.780445
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -14.537
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: -2.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -72.925829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.925829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.925829 (E_RNA)
where:
Base-Base interactions energy: -19.759
where: short stacking energy: -19.225
Base-Backbone interact. energy: -1.091
local terms energy: -52.076242
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: 2.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -224.560283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.560283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.560283 (E_RNA)
where:
Base-Base interactions energy: -152.973
where: short stacking energy: -68.125
Base-Backbone interact. energy: -0.421
local terms energy: -71.166354
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -19.500
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: 120
Temperature: 0.950000
Total energy: -213.893995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.893995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.893995 (E_RNA)
where:
Base-Base interactions energy: -140.278
where: short stacking energy: -64.882
Base-Backbone interact. energy: -0.094
local terms energy: -73.522484
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -18.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -218.555611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.555611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.555611 (E_RNA)
where:
Base-Base interactions energy: -147.627
where: short stacking energy: -63.789
Base-Backbone interact. energy: -0.050
local terms energy: -70.878832
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -17.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -203.569229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.569229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.569229 (E_RNA)
where:
Base-Base interactions energy: -137.995
where: short stacking energy: -54.730
Base-Backbone interact. energy: -0.045
local terms energy: -65.529440
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -17.584
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: 5, replica: 4
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -208.786551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.786551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.786551 (E_RNA)
where:
Base-Base interactions energy: -132.024
where: short stacking energy: -64.550
Base-Backbone interact. energy: -0.003
local terms energy: -76.760285
where:
bonds (distance) C4'-P energy: -17.584
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -14.421
tors. eta vs tors. theta energy: -18.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -188.167113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.167113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.167113 (E_RNA)
where:
Base-Base interactions energy: -114.816
where: short stacking energy: -54.955
Base-Backbone interact. energy: -0.113
local terms energy: -73.237875
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -17.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -101.142391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.142391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.142391 (E_RNA)
where:
Base-Base interactions energy: -45.120
where: short stacking energy: -39.316
Base-Backbone interact. energy: -0.092
local terms energy: -55.930003
where:
bonds (distance) C4'-P energy: -8.430
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: -11.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -86.852566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.852566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.852566 (E_RNA)
where:
Base-Base interactions energy: -38.549
where: short stacking energy: -36.601
Base-Backbone interact. energy: -0.275
local terms energy: -48.028739
where:
bonds (distance) C4'-P energy: -9.652
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -3.480
tors. eta vs tors. theta energy: -5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -68.811439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.811439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.811439 (E_RNA)
where:
Base-Base interactions energy: -20.197
where: short stacking energy: -15.639
Base-Backbone interact. energy: -0.655
local terms energy: -47.959826
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: 1.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -73.196622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.196622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.196622 (E_RNA)
where:
Base-Base interactions energy: -25.482
where: short stacking energy: -14.685
Base-Backbone interact. energy: -0.483
local terms energy: -47.231873
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -9.256
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -1.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -226.524622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.524622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.524622 (E_RNA)
where:
Base-Base interactions energy: -153.822
where: short stacking energy: -70.035
Base-Backbone interact. energy: -0.052
local terms energy: -72.651289
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -5.652
tors. eta vs tors. theta energy: -20.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -217.230651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.230651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.230651 (E_RNA)
where:
Base-Base interactions energy: -138.812
where: short stacking energy: -66.032
Base-Backbone interact. energy: -0.014
local terms energy: -78.404644
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -13.627
tors. eta vs tors. theta energy: -23.277
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: 2
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -219.505146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.505146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.505146 (E_RNA)
where:
Base-Base interactions energy: -143.192
where: short stacking energy: -60.075
Base-Backbone interact. energy: 0.357
local terms energy: -76.670852
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -18.368
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -19.083
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: 4
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -208.779488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.779488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.779488 (E_RNA)
where:
Base-Base interactions energy: -132.888
where: short stacking energy: -56.173
Base-Backbone interact. energy: -0.445
local terms energy: -75.446824
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -18.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -193.747878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.747878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.747878 (E_RNA)
where:
Base-Base interactions energy: -126.460
where: short stacking energy: -55.902
Base-Backbone interact. energy: -0.384
local terms energy: -66.903539
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -16.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -192.797621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.797621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.797621 (E_RNA)
where:
Base-Base interactions energy: -124.457
where: short stacking energy: -46.415
Base-Backbone interact. energy: -0.229
local terms energy: -68.111776
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -12.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -102.354196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.354196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.354196 (E_RNA)
where:
Base-Base interactions energy: -50.297
where: short stacking energy: -32.750
Base-Backbone interact. energy: -0.465
local terms energy: -51.592363
where:
bonds (distance) C4'-P energy: -9.763
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -3.906
tors. eta vs tors. theta energy: -6.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -85.841606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.841606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.841606 (E_RNA)
where:
Base-Base interactions energy: -35.340
where: short stacking energy: -32.757
Base-Backbone interact. energy: 0.526
local terms energy: -51.028272
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -3.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -70.503962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.503962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.503962 (E_RNA)
where:
Base-Base interactions energy: -16.663
where: short stacking energy: -16.663
Base-Backbone interact. energy: -0.224
local terms energy: -53.616619
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -2.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -88.661533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.661533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.661533 (E_RNA)
where:
Base-Base interactions energy: -30.175
where: short stacking energy: -30.175
Base-Backbone interact. energy: -0.120
local terms energy: -58.366238
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -7.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -231.152936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.152936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.152936 (E_RNA)
where:
Base-Base interactions energy: -156.674
where: short stacking energy: -67.052
Base-Backbone interact. energy: -0.101
local terms energy: -74.377796
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -20.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -226.148607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.148607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.148607 (E_RNA)
where:
Base-Base interactions energy: -146.284
where: short stacking energy: -69.682
Base-Backbone interact. energy: -0.084
local terms energy: -79.779803
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -23.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -223.020662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.020662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.020662 (E_RNA)
where:
Base-Base interactions energy: -151.180
where: short stacking energy: -65.861
Base-Backbone interact. energy: -0.004
local terms energy: -71.836933
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -10.427
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -19.278
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: 4, replica: 4
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -209.142053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.142053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.142053 (E_RNA)
where:
Base-Base interactions energy: -137.114
where: short stacking energy: -59.679
Base-Backbone interact. energy: -0.031
local terms energy: -71.996212
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -18.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -180.881155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.881155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.881155 (E_RNA)
where:
Base-Base interactions energy: -115.859
where: short stacking energy: -43.350
Base-Backbone interact. energy: -0.433
local terms energy: -64.589307
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -6.180
tors. eta vs tors. theta energy: -13.348
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: 6
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -171.314456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.314456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.314456 (E_RNA)
where:
Base-Base interactions energy: -112.811
where: short stacking energy: -45.016
Base-Backbone interact. energy: 0.447
local terms energy: -58.949972
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -5.606
tors. eta vs tors. theta energy: -14.023
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: 7, replica: 8
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -92.715311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.715311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.715311 (E_RNA)
where:
Base-Base interactions energy: -38.088
where: short stacking energy: -32.751
Base-Backbone interact. energy: -0.574
local terms energy: -54.053543
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -3.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -87.772362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.772362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.772362 (E_RNA)
where:
Base-Base interactions energy: -32.140
where: short stacking energy: -28.313
Base-Backbone interact. energy: -0.046
local terms energy: -55.586328
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -4.458
tors. eta vs tors. theta energy: -5.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -118.331205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.331205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.331205 (E_RNA)
where:
Base-Base interactions energy: -64.905
where: short stacking energy: -32.216
Base-Backbone interact. energy: -0.252
local terms energy: -53.173500
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -1.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -76.301959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.301959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.301959 (E_RNA)
where:
Base-Base interactions energy: -22.013
where: short stacking energy: -21.519
Base-Backbone interact. energy: -0.149
local terms energy: -54.139727
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: 2.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -230.981567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.981567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.981567 (E_RNA)
where:
Base-Base interactions energy: -157.354
where: short stacking energy: -70.778
Base-Backbone interact. energy: -0.111
local terms energy: -73.516666
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -17.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -218.632841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.632841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.632841 (E_RNA)
where:
Base-Base interactions energy: -141.485
where: short stacking energy: -66.134
Base-Backbone interact. energy: -0.168
local terms energy: -76.979931
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -20.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -218.337741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.337741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.337741 (E_RNA)
where:
Base-Base interactions energy: -149.171
where: short stacking energy: -66.840
Base-Backbone interact. energy: -0.084
local terms energy: -69.082840
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -18.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -204.812733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.812733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.812733 (E_RNA)
where:
Base-Base interactions energy: -133.683
where: short stacking energy: -58.742
Base-Backbone interact. energy: -0.012
local terms energy: -71.118150
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -16.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -171.392797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.392797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.392797 (E_RNA)
where:
Base-Base interactions energy: -109.830
where: short stacking energy: -45.262
Base-Backbone interact. energy: -0.237
local terms energy: -61.326182
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -9.291
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: 6, replica: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -166.558244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.558244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.558244 (E_RNA)
where:
Base-Base interactions energy: -110.451
where: short stacking energy: -55.208
Base-Backbone interact. energy: -0.126
local terms energy: -55.981032
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -10.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -89.955928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.955928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.955928 (E_RNA)
where:
Base-Base interactions energy: -32.798
where: short stacking energy: -24.377
Base-Backbone interact. energy: -0.554
local terms energy: -56.603245
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -18.643
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: 0.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -95.522503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.522503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.522503 (E_RNA)
where:
Base-Base interactions energy: -52.571
where: short stacking energy: -14.423
Base-Backbone interact. energy: -0.221
local terms energy: -42.730634
where:
bonds (distance) C4'-P energy: -9.462
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -6.269
tors. eta vs tors. theta energy: 0.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -81.814833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.814833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.814833 (E_RNA)
where:
Base-Base interactions energy: -38.934
where: short stacking energy: -27.082
Base-Backbone interact. energy: -0.133
local terms energy: -42.747906
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -4.966
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -72.239991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.239991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.239991 (E_RNA)
where:
Base-Base interactions energy: -24.663
where: short stacking energy: -23.714
Base-Backbone interact. energy: -0.599
local terms energy: -46.978178
where:
bonds (distance) C4'-P energy: -8.343
bonds (distance) P-C4' energy: -12.724
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: -7.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -222.916546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.916546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.916546 (E_RNA)
where:
Base-Base interactions energy: -141.837
where: short stacking energy: -64.979
Base-Backbone interact. energy: -0.026
local terms energy: -81.053499
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -18.378
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -19.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -223.677605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.677605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.677605 (E_RNA)
where:
Base-Base interactions energy: -136.345
where: short stacking energy: -63.632
Base-Backbone interact. energy: -0.017
local terms energy: -87.315981
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -22.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -208.183077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.183077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.183077 (E_RNA)
where:
Base-Base interactions energy: -137.415
where: short stacking energy: -58.766
Base-Backbone interact. energy: -0.295
local terms energy: -70.472792
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -17.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -214.116167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.116167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.116167 (E_RNA)
where:
Base-Base interactions energy: -137.627
where: short stacking energy: -70.965
Base-Backbone interact. energy: -0.001
local terms energy: -76.488653
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -19.729
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: 6
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -176.274760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.274760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.274760 (E_RNA)
where:
Base-Base interactions energy: -117.824
where: short stacking energy: -60.451
Base-Backbone interact. energy: -0.066
local terms energy: -58.384866
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -11.189
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -14.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -164.565287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.565287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.565287 (E_RNA)
where:
Base-Base interactions energy: -103.609
where: short stacking energy: -48.539
Base-Backbone interact. energy: -0.085
local terms energy: -60.871263
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -15.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -83.938469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.938469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.938469 (E_RNA)
where:
Base-Base interactions energy: -27.481
where: short stacking energy: -27.481
Base-Backbone interact. energy: -0.086
local terms energy: -56.371393
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -10.384
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -2.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -82.503675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.503675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.503675 (E_RNA)
where:
Base-Base interactions energy: -25.600
where: short stacking energy: -25.600
Base-Backbone interact. energy: -1.098
local terms energy: -55.805885
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -3.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -79.304755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.304755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.304755 (E_RNA)
where:
Base-Base interactions energy: -29.817
where: short stacking energy: -24.003
Base-Backbone interact. energy: -0.707
local terms energy: -48.780462
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -2.820
tors. eta vs tors. theta energy: -1.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -83.719461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.719461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.719461 (E_RNA)
where:
Base-Base interactions energy: -35.165
where: short stacking energy: -27.989
Base-Backbone interact. energy: 0.506
local terms energy: -49.059793
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: 1.773
tors. eta vs tors. theta energy: -8.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -224.332543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.332543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.332543 (E_RNA)
where:
Base-Base interactions energy: -149.617
where: short stacking energy: -63.862
Base-Backbone interact. energy: -0.248
local terms energy: -74.468001
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -20.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -219.185740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.185740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.185740 (E_RNA)
where:
Base-Base interactions energy: -150.611
where: short stacking energy: -62.925
Base-Backbone interact. energy: 0.259
local terms energy: -68.833292
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -9.847
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -16.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -211.865459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.865459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.865459 (E_RNA)
where:
Base-Base interactions energy: -138.207
where: short stacking energy: -56.748
Base-Backbone interact. energy: -0.115
local terms energy: -73.543377
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -18.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -208.843573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.843573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.843573 (E_RNA)
where:
Base-Base interactions energy: -133.182
where: short stacking energy: -63.059
Base-Backbone interact. energy: -0.043
local terms energy: -75.619047
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -18.137
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: 6
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -177.704065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.704065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.704065 (E_RNA)
where:
Base-Base interactions energy: -117.491
where: short stacking energy: -45.619
Base-Backbone interact. energy: -0.093
local terms energy: -60.120095
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -15.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -186.099415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.099415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.099415 (E_RNA)
where:
Base-Base interactions energy: -118.726
where: short stacking energy: -61.527
Base-Backbone interact. energy: -0.095
local terms energy: -67.278411
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -4.521
tors. eta vs tors. theta energy: -16.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -85.130341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.130341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.130341 (E_RNA)
where:
Base-Base interactions energy: -29.584
where: short stacking energy: -29.584
Base-Backbone interact. energy: -0.101
local terms energy: -55.444629
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -3.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -99.949530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.949530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.949530 (E_RNA)
where:
Base-Base interactions energy: -47.288
where: short stacking energy: -36.650
Base-Backbone interact. energy: -1.470
local terms energy: -51.191615
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -3.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -75.313809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.313809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.313809 (E_RNA)
where:
Base-Base interactions energy: -35.063
where: short stacking energy: -19.450
Base-Backbone interact. energy: -0.840
local terms energy: -39.410867
where:
bonds (distance) C4'-P energy: -9.486
bonds (distance) P-C4' energy: -12.298
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -6.223
tors. eta vs tors. theta energy: 0.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -76.232315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.232315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.232315 (E_RNA)
where:
Base-Base interactions energy: -27.324
where: short stacking energy: -26.891
Base-Backbone interact. energy: -0.233
local terms energy: -48.675360
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -9.460
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: -5.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -221.281404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.281404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.281404 (E_RNA)
where:
Base-Base interactions energy: -140.530
where: short stacking energy: -63.185
Base-Backbone interact. energy: -0.000
local terms energy: -80.751296
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -22.377
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: 3
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -218.299036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.299036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.299036 (E_RNA)
where:
Base-Base interactions energy: -142.925
where: short stacking energy: -69.155
Base-Backbone interact. energy: -0.006
local terms energy: -75.367939
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -11.226
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: 3, replica: 5
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -215.342477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.342477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.342477 (E_RNA)
where:
Base-Base interactions energy: -143.479
where: short stacking energy: -62.434
Base-Backbone interact. energy: -0.783
local terms energy: -71.081279
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -17.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -199.276059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.276059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.276059 (E_RNA)
where:
Base-Base interactions energy: -130.601
where: short stacking energy: -57.674
Base-Backbone interact. energy: -0.124
local terms energy: -68.551264
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -16.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -179.449121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.449121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.449121 (E_RNA)
where:
Base-Base interactions energy: -112.264
where: short stacking energy: -54.072
Base-Backbone interact. energy: -0.022
local terms energy: -67.162681
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -18.561
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -15.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -174.860644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.860644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.860644 (E_RNA)
where:
Base-Base interactions energy: -110.407
where: short stacking energy: -50.320
Base-Backbone interact. energy: -0.204
local terms energy: -64.248883
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -16.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -76.030313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.030313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.030313 (E_RNA)
where:
Base-Base interactions energy: -29.954
where: short stacking energy: -29.810
Base-Backbone interact. energy: -0.250
local terms energy: -45.826528
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -12.107
flat angles C4'-P-C4' energy: -8.444
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -5.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -102.937304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.937304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.937304 (E_RNA)
where:
Base-Base interactions energy: -49.836
where: short stacking energy: -37.246
Base-Backbone interact. energy: -0.131
local terms energy: -52.970497
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -10.574
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -9.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -88.948041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.948041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.948041 (E_RNA)
where:
Base-Base interactions energy: -34.660
where: short stacking energy: -29.766
Base-Backbone interact. energy: -0.606
local terms energy: -53.682317
where:
bonds (distance) C4'-P energy: -7.896
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -7.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -77.687829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.687829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.687829 (E_RNA)
where:
Base-Base interactions energy: -29.483
where: short stacking energy: -16.036
Base-Backbone interact. energy: -0.290
local terms energy: -47.914904
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -10.335
flat angles P-C4'-P energy: -5.311
tors. eta vs tors. theta energy: 0.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -221.525847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.525847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.525847 (E_RNA)
where:
Base-Base interactions energy: -142.148
where: short stacking energy: -65.552
Base-Backbone interact. energy: -0.055
local terms energy: -79.323655
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -21.341
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: 2, replica: 5
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -214.675004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.675004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.675004 (E_RNA)
where:
Base-Base interactions energy: -147.175
where: short stacking energy: -62.518
Base-Backbone interact. energy: -0.415
local terms energy: -67.085182
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -19.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -207.831152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.831152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.831152 (E_RNA)
where:
Base-Base interactions energy: -138.108
where: short stacking energy: -61.200
Base-Backbone interact. energy: 0.775
local terms energy: -70.498362
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -5.900
tors. eta vs tors. theta energy: -19.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -194.632950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.632950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.632950 (E_RNA)
where:
Base-Base interactions energy: -117.065
where: short stacking energy: -65.627
Base-Backbone interact. energy: -0.711
local terms energy: -76.856811
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -17.521
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: 2
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -197.550658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.550658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.550658 (E_RNA)
where:
Base-Base interactions energy: -122.808
where: short stacking energy: -61.332
Base-Backbone interact. energy: -0.029
local terms energy: -74.713900
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -18.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -164.051498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.051498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.051498 (E_RNA)
where:
Base-Base interactions energy: -102.478
where: short stacking energy: -44.560
Base-Backbone interact. energy: -0.005
local terms energy: -61.568167
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -12.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -86.133789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.133789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.133789 (E_RNA)
where:
Base-Base interactions energy: -28.838
where: short stacking energy: -28.838
Base-Backbone interact. energy: 0.779
local terms energy: -58.074628
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -2.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -83.142059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.142059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.142059 (E_RNA)
where:
Base-Base interactions energy: -27.052
where: short stacking energy: -26.433
Base-Backbone interact. energy: 0.435
local terms energy: -56.524719
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -75.780792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.780792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.780792 (E_RNA)
where:
Base-Base interactions energy: -24.114
where: short stacking energy: -22.769
Base-Backbone interact. energy: -0.135
local terms energy: -51.532244
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -4.982
tors. eta vs tors. theta energy: -2.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -86.287485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.287485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.287485 (E_RNA)
where:
Base-Base interactions energy: -32.115
where: short stacking energy: -31.519
Base-Backbone interact. energy: -0.202
local terms energy: -53.971020
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: 0.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -229.453331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.453331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.453331 (E_RNA)
where:
Base-Base interactions energy: -143.576
where: short stacking energy: -64.237
Base-Backbone interact. energy: -0.026
local terms energy: -85.852263
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -22.291
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: 128
Temperature: 0.950000
Total energy: -218.352982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.352982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.352982 (E_RNA)
where:
Base-Base interactions energy: -143.314
where: short stacking energy: -66.324
Base-Backbone interact. energy: -0.090
local terms energy: -74.949405
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -18.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -202.151866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.151866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.151866 (E_RNA)
where:
Base-Base interactions energy: -122.944
where: short stacking energy: -68.611
Base-Backbone interact. energy: -0.005
local terms energy: -79.202931
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -14.671
tors. eta vs tors. theta energy: -20.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -210.061180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.061180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.061180 (E_RNA)
where:
Base-Base interactions energy: -140.316
where: short stacking energy: -64.469
Base-Backbone interact. energy: -0.036
local terms energy: -69.708929
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -11.611
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -17.971
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: 6
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -196.295443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.295443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.295443 (E_RNA)
where:
Base-Base interactions energy: -128.179
where: short stacking energy: -54.928
Base-Backbone interact. energy: 0.318
local terms energy: -68.434438
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -14.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -185.772442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.772442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.772442 (E_RNA)
where:
Base-Base interactions energy: -112.867
where: short stacking energy: -57.024
Base-Backbone interact. energy: -0.002
local terms energy: -72.903576
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: -19.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -95.516462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.516462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.516462 (E_RNA)
where:
Base-Base interactions energy: -40.392
where: short stacking energy: -35.858
Base-Backbone interact. energy: -0.777
local terms energy: -54.348036
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -4.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -79.243530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.243530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.243530 (E_RNA)
where:
Base-Base interactions energy: -32.004
where: short stacking energy: -29.761
Base-Backbone interact. energy: -0.248
local terms energy: -46.991112
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -4.217
tors. eta vs tors. theta energy: 0.304
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: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -85.790263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.790263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.790263 (E_RNA)
where:
Base-Base interactions energy: -32.658
where: short stacking energy: -32.658
Base-Backbone interact. energy: -0.012
local terms energy: -53.120676
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -9.361
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -6.347
tors. eta vs tors. theta energy: -8.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -80.922858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.922858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.922858 (E_RNA)
where:
Base-Base interactions energy: -37.481
where: short stacking energy: -23.983
Base-Backbone interact. energy: -0.182
local terms energy: -43.259243
where:
bonds (distance) C4'-P energy: -9.826
bonds (distance) P-C4' energy: -11.156
flat angles C4'-P-C4' energy: -10.153
flat angles P-C4'-P energy: -1.933
tors. eta vs tors. theta energy: -10.192
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: 4
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -217.556057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.556057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.556057 (E_RNA)
where:
Base-Base interactions energy: -134.336
where: short stacking energy: -61.827
Base-Backbone interact. energy: -0.537
local terms energy: -82.682912
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -20.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -198.087527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.087527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.087527 (E_RNA)
where:
Base-Base interactions energy: -131.046
where: short stacking energy: -66.280
Base-Backbone interact. energy: -0.004
local terms energy: -67.036650
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -5.244
tors. eta vs tors. theta energy: -19.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -213.737003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.737003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.737003 (E_RNA)
where:
Base-Base interactions energy: -139.671
where: short stacking energy: -64.601
Base-Backbone interact. energy: -0.263
local terms energy: -73.802904
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -19.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -206.268045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.268045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.268045 (E_RNA)
where:
Base-Base interactions energy: -131.573
where: short stacking energy: -52.698
Base-Backbone interact. energy: -0.463
local terms energy: -74.232141
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -15.155
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: 6
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -206.486134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.486134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.486134 (E_RNA)
where:
Base-Base interactions energy: -134.771
where: short stacking energy: -67.350
Base-Backbone interact. energy: -0.015
local terms energy: -71.700722
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -19.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -178.017869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.017869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.017869 (E_RNA)
where:
Base-Base interactions energy: -113.177
where: short stacking energy: -52.901
Base-Backbone interact. energy: -0.088
local terms energy: -64.752285
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -13.901
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: 129
Temperature: 1.200000
Total energy: -94.373724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.373724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.373724 (E_RNA)
where:
Base-Base interactions energy: -34.520
where: short stacking energy: -34.520
Base-Backbone interact. energy: -0.003
local terms energy: -59.851298
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -10.814
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -11.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -80.918384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.918384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.918384 (E_RNA)
where:
Base-Base interactions energy: -29.183
where: short stacking energy: -23.779
Base-Backbone interact. energy: -0.429
local terms energy: -51.306771
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: 1.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -73.521926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.521926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.521926 (E_RNA)
where:
Base-Base interactions energy: -30.431
where: short stacking energy: -30.431
Base-Backbone interact. energy: -0.170
local terms energy: -42.920692
where:
bonds (distance) C4'-P energy: -9.032
bonds (distance) P-C4' energy: -11.396
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -7.901
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: 10
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -78.837688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.837688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.837688 (E_RNA)
where:
Base-Base interactions energy: -28.219
where: short stacking energy: -28.219
Base-Backbone interact. energy: -0.019
local terms energy: -50.599734
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -1.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -217.958405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.958405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.958405 (E_RNA)
where:
Base-Base interactions energy: -142.057
where: short stacking energy: -70.475
Base-Backbone interact. energy: -0.149
local terms energy: -75.752041
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -17.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -182.532538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.532538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.532538 (E_RNA)
where:
Base-Base interactions energy: -113.965
where: short stacking energy: -50.141
Base-Backbone interact. energy: -0.069
local terms energy: -68.498721
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -14.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -214.430027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.430027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.430027 (E_RNA)
where:
Base-Base interactions energy: -140.364
where: short stacking energy: -59.343
Base-Backbone interact. energy: -0.002
local terms energy: -74.063954
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -21.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -211.464618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.464618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.464618 (E_RNA)
where:
Base-Base interactions energy: -131.626
where: short stacking energy: -58.516
Base-Backbone interact. energy: -0.017
local terms energy: -79.821648
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -14.812
tors. eta vs tors. theta energy: -19.804
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: 6
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -202.362980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.362980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.362980 (E_RNA)
where:
Base-Base interactions energy: -138.179
where: short stacking energy: -58.694
Base-Backbone interact. energy: -0.010
local terms energy: -64.174687
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -5.906
tors. eta vs tors. theta energy: -17.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -163.395418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.395418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.395418 (E_RNA)
where:
Base-Base interactions energy: -105.204
where: short stacking energy: -39.899
Base-Backbone interact. energy: -0.010
local terms energy: -58.180963
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -10.133
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -8.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -96.446173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.446173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.446173 (E_RNA)
where:
Base-Base interactions energy: -42.524
where: short stacking energy: -42.524
Base-Backbone interact. energy: -0.101
local terms energy: -53.821217
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -6.967
flat angles P-C4'-P energy: -5.161
tors. eta vs tors. theta energy: -11.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -106.722776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.722776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.722776 (E_RNA)
where:
Base-Base interactions energy: -44.903
where: short stacking energy: -44.903
Base-Backbone interact. energy: -0.079
local terms energy: -61.741298
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -10.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -78.494697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.494697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.494697 (E_RNA)
where:
Base-Base interactions energy: -28.215
where: short stacking energy: -23.942
Base-Backbone interact. energy: -0.670
local terms energy: -49.609733
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -3.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -83.771165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.771165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.771165 (E_RNA)
where:
Base-Base interactions energy: -34.708
where: short stacking energy: -34.064
Base-Backbone interact. energy: -0.228
local terms energy: -48.836038
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -8.194
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -6.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -224.922352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.922352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.922352 (E_RNA)
where:
Base-Base interactions energy: -140.065
where: short stacking energy: -66.271
Base-Backbone interact. energy: -1.623
local terms energy: -83.234379
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -23.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -222.453883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.453883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.453883 (E_RNA)
where:
Base-Base interactions energy: -147.092
where: short stacking energy: -65.921
Base-Backbone interact. energy: -0.001
local terms energy: -75.361107
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -19.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -183.965636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.965636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.965636 (E_RNA)
where:
Base-Base interactions energy: -114.651
where: short stacking energy: -55.057
Base-Backbone interact. energy: -0.059
local terms energy: -69.255259
where:
bonds (distance) C4'-P energy: -11.168
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -18.811
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: 6
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -206.756951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.756951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.756951 (E_RNA)
where:
Base-Base interactions energy: -139.429
where: short stacking energy: -69.479
Base-Backbone interact. energy: -0.541
local terms energy: -66.787317
where:
bonds (distance) C4'-P energy: -10.370
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -21.346
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: 5, replica: 3
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -200.854580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.854580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.854580 (E_RNA)
where:
Base-Base interactions energy: -134.688
where: short stacking energy: -61.158
Base-Backbone interact. energy: -0.025
local terms energy: -66.141998
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -11.033
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -17.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -165.575281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.575281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.575281 (E_RNA)
where:
Base-Base interactions energy: -96.502
where: short stacking energy: -57.908
Base-Backbone interact. energy: -0.053
local terms energy: -69.020993
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -12.069
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -13.083
tors. eta vs tors. theta energy: -16.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -89.372363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.372363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.372363 (E_RNA)
where:
Base-Base interactions energy: -31.375
where: short stacking energy: -30.739
Base-Backbone interact. energy: -0.056
local terms energy: -57.942073
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -6.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -88.151853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.151853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.151853 (E_RNA)
where:
Base-Base interactions energy: -32.010
where: short stacking energy: -29.800
Base-Backbone interact. energy: -0.141
local terms energy: -56.000868
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -2.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -76.060859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.060859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.060859 (E_RNA)
where:
Base-Base interactions energy: -30.471
where: short stacking energy: -26.732
Base-Backbone interact. energy: -0.235
local terms energy: -45.355044
where:
bonds (distance) C4'-P energy: -9.107
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: 2.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -90.833017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.833017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.833017 (E_RNA)
where:
Base-Base interactions energy: -36.859
where: short stacking energy: -28.769
Base-Backbone interact. energy: -0.171
local terms energy: -53.803524
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -4.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -223.390215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.390215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.390215 (E_RNA)
where:
Base-Base interactions energy: -151.602
where: short stacking energy: -72.608
Base-Backbone interact. energy: -0.094
local terms energy: -71.694742
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -18.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -219.283503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.283503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.283503 (E_RNA)
where:
Base-Base interactions energy: -150.629
where: short stacking energy: -67.256
Base-Backbone interact. energy: -0.042
local terms energy: -68.612467
where:
bonds (distance) C4'-P energy: -11.340
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -5.906
tors. eta vs tors. theta energy: -19.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -211.865152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.865152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.865152 (E_RNA)
where:
Base-Base interactions energy: -138.506
where: short stacking energy: -60.815
Base-Backbone interact. energy: -0.018
local terms energy: -73.341192
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -19.411
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: 4, replica: 1
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -196.663158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.663158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.663158 (E_RNA)
where:
Base-Base interactions energy: -119.984
where: short stacking energy: -64.406
Base-Backbone interact. energy: -0.073
local terms energy: -76.605934
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -16.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -203.765711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.765711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.765711 (E_RNA)
where:
Base-Base interactions energy: -139.171
where: short stacking energy: -55.829
Base-Backbone interact. energy: -0.095
local terms energy: -64.499979
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -16.424
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: 2
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -145.300769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.300769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.300769 (E_RNA)
where:
Base-Base interactions energy: -85.221
where: short stacking energy: -36.598
Base-Backbone interact. energy: -0.216
local terms energy: -59.863667
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -3.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -88.670816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.670816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.670816 (E_RNA)
where:
Base-Base interactions energy: -30.830
where: short stacking energy: -30.830
Base-Backbone interact. energy: -0.020
local terms energy: -57.820689
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -6.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -80.160694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.160694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.160694 (E_RNA)
where:
Base-Base interactions energy: -26.766
where: short stacking energy: -26.766
Base-Backbone interact. energy: 0.956
local terms energy: -54.350847
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -10.121
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -9.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -95.382534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.382534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.382534 (E_RNA)
where:
Base-Base interactions energy: -46.567
where: short stacking energy: -33.720
Base-Backbone interact. energy: -0.199
local terms energy: -48.616734
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -10.461
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -2.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -76.198704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.198704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.198704 (E_RNA)
where:
Base-Base interactions energy: -32.461
where: short stacking energy: -32.461
Base-Backbone interact. energy: -0.188
local terms energy: -43.549573
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -10.512
flat angles C4'-P-C4' energy: -7.379
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -2.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -219.927708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.927708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.927708 (E_RNA)
where:
Base-Base interactions energy: -143.802
where: short stacking energy: -67.040
Base-Backbone interact. energy: -0.054
local terms energy: -76.071131
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -18.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -218.518860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.518860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.518860 (E_RNA)
where:
Base-Base interactions energy: -149.657
where: short stacking energy: -64.638
Base-Backbone interact. energy: -0.087
local terms energy: -68.774754
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -17.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -219.558988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.558988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.558988 (E_RNA)
where:
Base-Base interactions energy: -144.602
where: short stacking energy: -66.895
Base-Backbone interact. energy: -0.083
local terms energy: -74.873799
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -20.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -184.270196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.270196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.270196 (E_RNA)
where:
Base-Base interactions energy: -113.594
where: short stacking energy: -56.073
Base-Backbone interact. energy: -0.000
local terms energy: -70.675414
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -15.283
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: 133
Temperature: 1.100000
Total energy: -205.814358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.814358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.814358 (E_RNA)
where:
Base-Base interactions energy: -130.071
where: short stacking energy: -59.690
Base-Backbone interact. energy: -0.024
local terms energy: -75.719544
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -17.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -184.443936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.443936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.443936 (E_RNA)
where:
Base-Base interactions energy: -128.136
where: short stacking energy: -58.351
Base-Backbone interact. energy: -0.145
local terms energy: -56.162868
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -4.505
tors. eta vs tors. theta energy: -12.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -89.456911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.456911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.456911 (E_RNA)
where:
Base-Base interactions energy: -36.903
where: short stacking energy: -19.300
Base-Backbone interact. energy: -0.543
local terms energy: -52.011759
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: 1.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -88.384608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.384608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.384608 (E_RNA)
where:
Base-Base interactions energy: -39.564
where: short stacking energy: -31.562
Base-Backbone interact. energy: -0.036
local terms energy: -48.785237
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -4.407
tors. eta vs tors. theta energy: -3.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -84.829488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.829488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.829488 (E_RNA)
where:
Base-Base interactions energy: -34.699
where: short stacking energy: -32.083
Base-Backbone interact. energy: -0.092
local terms energy: -50.038143
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -5.109
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -6.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -72.980753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.980753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.980753 (E_RNA)
where:
Base-Base interactions energy: -30.999
where: short stacking energy: -24.836
Base-Backbone interact. energy: -0.231
local terms energy: -41.751420
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -6.706
flat angles P-C4'-P energy: -3.413
tors. eta vs tors. theta energy: -6.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -227.618426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.618426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.618426 (E_RNA)
where:
Base-Base interactions energy: -149.813
where: short stacking energy: -66.515
Base-Backbone interact. energy: -0.085
local terms energy: -77.720505
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -21.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -215.120707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.120707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.120707 (E_RNA)
where:
Base-Base interactions energy: -144.901
where: short stacking energy: -62.674
Base-Backbone interact. energy: -0.169
local terms energy: -70.050524
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -16.847
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: 4
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -209.892482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.892482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.892482 (E_RNA)
where:
Base-Base interactions energy: -133.105
where: short stacking energy: -60.394
Base-Backbone interact. energy: -0.045
local terms energy: -76.742602
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -21.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -185.704600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.704600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.704600 (E_RNA)
where:
Base-Base interactions energy: -104.982
where: short stacking energy: -60.863
Base-Backbone interact. energy: -0.003
local terms energy: -80.719868
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -19.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -194.455982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.455982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.455982 (E_RNA)
where:
Base-Base interactions energy: -133.439
where: short stacking energy: -62.081
Base-Backbone interact. energy: -0.314
local terms energy: -60.703156
where:
bonds (distance) C4'-P energy: -9.504
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -13.899
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: 3
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -199.397923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.397923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.397923 (E_RNA)
where:
Base-Base interactions energy: -125.804
where: short stacking energy: -52.750
Base-Backbone interact. energy: -0.029
local terms energy: -73.564680
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -15.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -92.594351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.594351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.594351 (E_RNA)
where:
Base-Base interactions energy: -28.343
where: short stacking energy: -26.889
Base-Backbone interact. energy: -0.078
local terms energy: -64.173425
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -13.210
tors. eta vs tors. theta energy: -6.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -101.946868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.946868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.946868 (E_RNA)
where:
Base-Base interactions energy: -41.743
where: short stacking energy: -41.743
Base-Backbone interact. energy: -0.183
local terms energy: -60.020786
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -12.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -72.205734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.205734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.205734 (E_RNA)
where:
Base-Base interactions energy: -25.979
where: short stacking energy: -25.979
Base-Backbone interact. energy: 0.015
local terms energy: -46.241590
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -10.058
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: 1.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -67.883404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.883404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.883404 (E_RNA)
where:
Base-Base interactions energy: -24.827
where: short stacking energy: -21.750
Base-Backbone interact. energy: -0.278
local terms energy: -42.778664
where:
bonds (distance) C4'-P energy: -9.730
bonds (distance) P-C4' energy: -12.717
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -7.189
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: 5
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -224.979241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.979241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.979241 (E_RNA)
where:
Base-Base interactions energy: -148.424
where: short stacking energy: -69.135
Base-Backbone interact. energy: -0.102
local terms energy: -76.453515
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -21.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -216.612807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.612807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.612807 (E_RNA)
where:
Base-Base interactions energy: -140.589
where: short stacking energy: -63.151
Base-Backbone interact. energy: -0.153
local terms energy: -75.870783
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -17.782
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -18.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -223.164052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.164052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.164052 (E_RNA)
where:
Base-Base interactions energy: -150.764
where: short stacking energy: -68.087
Base-Backbone interact. energy: -0.104
local terms energy: -72.295610
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -18.048
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: 4, replica: 1
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -175.446482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.446482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.446482 (E_RNA)
where:
Base-Base interactions energy: -109.718
where: short stacking energy: -56.933
Base-Backbone interact. energy: -0.636
local terms energy: -65.092933
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -14.896
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: 2
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -192.024431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.024431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.024431 (E_RNA)
where:
Base-Base interactions energy: -131.890
where: short stacking energy: -58.425
Base-Backbone interact. energy: -0.044
local terms energy: -60.091312
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -10.944
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -12.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -190.549576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.549576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.549576 (E_RNA)
where:
Base-Base interactions energy: -125.449
where: short stacking energy: -53.906
Base-Backbone interact. energy: -0.136
local terms energy: -64.964829
where:
bonds (distance) C4'-P energy: -9.073
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -7.120
tors. eta vs tors. theta energy: -21.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -96.550988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.550988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.550988 (E_RNA)
where:
Base-Base interactions energy: -42.122
where: short stacking energy: -33.858
Base-Backbone interact. energy: -0.026
local terms energy: -54.403447
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -4.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -90.615716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.615716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.615716 (E_RNA)
where:
Base-Base interactions energy: -38.451
where: short stacking energy: -12.189
Base-Backbone interact. energy: -1.161
local terms energy: -51.004499
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: 3.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -78.670499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.670499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.670499 (E_RNA)
where:
Base-Base interactions energy: -19.322
where: short stacking energy: -19.322
Base-Backbone interact. energy: -0.205
local terms energy: -59.143310
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -5.929
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: 9
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -72.380483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.380483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.380483 (E_RNA)
where:
Base-Base interactions energy: -27.554
where: short stacking energy: -22.395
Base-Backbone interact. energy: -0.085
local terms energy: -44.741653
where:
bonds (distance) C4'-P energy: -10.168
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -5.928
tors. eta vs tors. theta energy: -2.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -224.709664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.709664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.709664 (E_RNA)
where:
Base-Base interactions energy: -148.548
where: short stacking energy: -71.917
Base-Backbone interact. energy: -0.039
local terms energy: -76.123540
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -6.393
tors. eta vs tors. theta energy: -21.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -216.625650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.625650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.625650 (E_RNA)
where:
Base-Base interactions energy: -147.898
where: short stacking energy: -66.909
Base-Backbone interact. energy: -0.355
local terms energy: -68.372728
where:
bonds (distance) C4'-P energy: -11.111
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -20.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -217.838320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.838320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.838320 (E_RNA)
where:
Base-Base interactions energy: -137.748
where: short stacking energy: -67.758
Base-Backbone interact. energy: -0.003
local terms energy: -80.087217
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -18.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -180.673707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.673707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.673707 (E_RNA)
where:
Base-Base interactions energy: -113.012
where: short stacking energy: -52.532
Base-Backbone interact. energy: -0.106
local terms energy: -67.556225
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -15.320
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: 2
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -195.211636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.211636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.211636 (E_RNA)
where:
Base-Base interactions energy: -124.043
where: short stacking energy: -52.621
Base-Backbone interact. energy: -0.003
local terms energy: -71.165562
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -15.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -175.534137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.534137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.534137 (E_RNA)
where:
Base-Base interactions energy: -123.097
where: short stacking energy: -47.122
Base-Backbone interact. energy: 0.114
local terms energy: -52.551678
where:
bonds (distance) C4'-P energy: -8.714
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -8.176
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -10.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -92.252530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.252530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.252530 (E_RNA)
where:
Base-Base interactions energy: -48.981
where: short stacking energy: -26.148
Base-Backbone interact. energy: -0.120
local terms energy: -43.151371
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -7.954
flat angles C4'-P-C4' energy: -10.676
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -3.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -87.034741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.034741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.034741 (E_RNA)
where:
Base-Base interactions energy: -46.942
where: short stacking energy: -29.732
Base-Backbone interact. energy: -0.364
local terms energy: -39.729061
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -10.208
flat angles P-C4'-P energy: -4.404
tors. eta vs tors. theta energy: -1.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -86.055913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.055913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.055913 (E_RNA)
where:
Base-Base interactions energy: -32.056
where: short stacking energy: -32.056
Base-Backbone interact. energy: -0.082
local terms energy: -53.918741
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -9.883
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -7.128
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: 8
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -80.214758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.214758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.214758 (E_RNA)
where:
Base-Base interactions energy: -30.663
where: short stacking energy: -30.663
Base-Backbone interact. energy: -0.121
local terms energy: -49.430306
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -12.548
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -4.298
tors. eta vs tors. theta energy: -4.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -228.238887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.238887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.238887 (E_RNA)
where:
Base-Base interactions energy: -162.384
where: short stacking energy: -71.241
Base-Backbone interact. energy: 0.319
local terms energy: -66.174313
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -15.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -222.913182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.913182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.913182 (E_RNA)
where:
Base-Base interactions energy: -142.738
where: short stacking energy: -69.270
Base-Backbone interact. energy: -0.001
local terms energy: -80.174397
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -22.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -210.687053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.687053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.687053 (E_RNA)
where:
Base-Base interactions energy: -132.266
where: short stacking energy: -65.051
Base-Backbone interact. energy: -0.000
local terms energy: -78.420502
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -20.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -191.063341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.063341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.063341 (E_RNA)
where:
Base-Base interactions energy: -121.090
where: short stacking energy: -53.023
Base-Backbone interact. energy: -0.116
local terms energy: -69.857282
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -15.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -177.888950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.888950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.888950 (E_RNA)
where:
Base-Base interactions energy: -117.620
where: short stacking energy: -62.924
Base-Backbone interact. energy: -0.053
local terms energy: -60.216164
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -5.408
tors. eta vs tors. theta energy: -15.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -172.755059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.755059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.755059 (E_RNA)
where:
Base-Base interactions energy: -99.951
where: short stacking energy: -51.228
Base-Backbone interact. energy: -0.094
local terms energy: -72.709956
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -14.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -96.104080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.104080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.104080 (E_RNA)
where:
Base-Base interactions energy: -45.401
where: short stacking energy: -32.276
Base-Backbone interact. energy: -0.096
local terms energy: -50.606473
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: -5.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -82.103374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.103374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.103374 (E_RNA)
where:
Base-Base interactions energy: -29.730
where: short stacking energy: -29.730
Base-Backbone interact. energy: -0.098
local terms energy: -52.275242
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: 0.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -81.565432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.565432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.565432 (E_RNA)
where:
Base-Base interactions energy: -33.977
where: short stacking energy: -32.347
Base-Backbone interact. energy: -0.299
local terms energy: -47.290126
where:
bonds (distance) C4'-P energy: -7.737
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -4.888
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: 10, replica: 8
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -79.606709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.606709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.606709 (E_RNA)
where:
Base-Base interactions energy: -28.345
where: short stacking energy: -27.331
Base-Backbone interact. energy: -0.240
local terms energy: -51.021194
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -223.549481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.549481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.549481 (E_RNA)
where:
Base-Base interactions energy: -156.644
where: short stacking energy: -74.057
Base-Backbone interact. energy: -0.006
local terms energy: -66.899572
where:
bonds (distance) C4'-P energy: -7.415
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -16.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -223.625823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.625823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.625823 (E_RNA)
where:
Base-Base interactions energy: -152.045
where: short stacking energy: -71.764
Base-Backbone interact. energy: -0.001
local terms energy: -71.579315
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -19.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -199.832510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.832510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.832510 (E_RNA)
where:
Base-Base interactions energy: -136.788
where: short stacking energy: -59.661
Base-Backbone interact. energy: -0.417
local terms energy: -62.627171
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -12.283
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: 6
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -205.467473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.467473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.467473 (E_RNA)
where:
Base-Base interactions energy: -134.362
where: short stacking energy: -49.187
Base-Backbone interact. energy: -0.033
local terms energy: -71.072685
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -15.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -169.647334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.647334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.647334 (E_RNA)
where:
Base-Base interactions energy: -107.418
where: short stacking energy: -39.477
Base-Backbone interact. energy: 1.495
local terms energy: -63.723931
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -11.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -172.272510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.272510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.272510 (E_RNA)
where:
Base-Base interactions energy: -106.658
where: short stacking energy: -56.232
Base-Backbone interact. energy: -0.892
local terms energy: -64.721912
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -15.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -89.259843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.259843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.259843 (E_RNA)
where:
Base-Base interactions energy: -38.062
where: short stacking energy: -38.062
Base-Backbone interact. energy: -0.134
local terms energy: -51.064546
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -4.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -79.398481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.398481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.398481 (E_RNA)
where:
Base-Base interactions energy: -30.429
where: short stacking energy: -15.311
Base-Backbone interact. energy: -1.315
local terms energy: -47.654294
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -9.145
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: 2.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -75.079391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.079391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.079391 (E_RNA)
where:
Base-Base interactions energy: -29.944
where: short stacking energy: -30.488
Base-Backbone interact. energy: -0.065
local terms energy: -45.070781
where:
bonds (distance) C4'-P energy: -10.087
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -4.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -76.198645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.198645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.198645 (E_RNA)
where:
Base-Base interactions energy: -31.330
where: short stacking energy: -27.321
Base-Backbone interact. energy: -0.164
local terms energy: -44.704587
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -9.997
flat angles P-C4'-P energy: -4.261
tors. eta vs tors. theta energy: -4.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -218.272624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.272624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.272624 (E_RNA)
where:
Base-Base interactions energy: -142.043
where: short stacking energy: -64.043
Base-Backbone interact. energy: -0.006
local terms energy: -76.223754
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -14.481
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -18.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -220.871737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.871737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.871737 (E_RNA)
where:
Base-Base interactions energy: -144.831
where: short stacking energy: -73.366
Base-Backbone interact. energy: -0.143
local terms energy: -75.897531
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -18.798
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: 3, replica: 2
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -210.602052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.602052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.602052 (E_RNA)
where:
Base-Base interactions energy: -140.733
where: short stacking energy: -64.265
Base-Backbone interact. energy: -0.248
local terms energy: -69.620819
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -15.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -216.887504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.887504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.887504 (E_RNA)
where:
Base-Base interactions energy: -143.339
where: short stacking energy: -64.660
Base-Backbone interact. energy: -0.116
local terms energy: -73.432988
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -19.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -173.335038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.335038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.335038 (E_RNA)
where:
Base-Base interactions energy: -108.446
where: short stacking energy: -56.695
Base-Backbone interact. energy: -0.009
local terms energy: -64.880152
where:
bonds (distance) C4'-P energy: -10.417
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -16.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -167.878361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.878361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.878361 (E_RNA)
where:
Base-Base interactions energy: -112.334
where: short stacking energy: -59.366
Base-Backbone interact. energy: -0.458
local terms energy: -55.086624
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -5.992
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -12.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -94.086462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.086462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.086462 (E_RNA)
where:
Base-Base interactions energy: -37.597
where: short stacking energy: -32.709
Base-Backbone interact. energy: -0.004
local terms energy: -56.485594
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -3.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -88.384979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.384979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.384979 (E_RNA)
where:
Base-Base interactions energy: -40.985
where: short stacking energy: -36.593
Base-Backbone interact. energy: 0.981
local terms energy: -48.380724
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -6.373
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: 10
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -75.319027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.319027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.319027 (E_RNA)
where:
Base-Base interactions energy: -31.299
where: short stacking energy: -29.182
Base-Backbone interact. energy: -0.100
local terms energy: -43.920205
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -9.471
flat angles P-C4'-P energy: -2.880
tors. eta vs tors. theta energy: -1.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -69.062408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.062408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.062408 (E_RNA)
where:
Base-Base interactions energy: -14.808
where: short stacking energy: -14.808
Base-Backbone interact. energy: -0.292
local terms energy: -53.962830
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -18.705
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: -0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -222.987858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.987858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.987858 (E_RNA)
where:
Base-Base interactions energy: -150.301
where: short stacking energy: -68.774
Base-Backbone interact. energy: -0.461
local terms energy: -72.226056
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -9.073
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -21.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -214.844494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.844494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.844494 (E_RNA)
where:
Base-Base interactions energy: -144.752
where: short stacking energy: -61.733
Base-Backbone interact. energy: -0.088
local terms energy: -70.004911
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -13.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -217.666392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.666392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.666392 (E_RNA)
where:
Base-Base interactions energy: -143.024
where: short stacking energy: -54.821
Base-Backbone interact. energy: -0.104
local terms energy: -74.537581
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -13.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -206.171961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.171961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.171961 (E_RNA)
where:
Base-Base interactions energy: -138.802
where: short stacking energy: -59.858
Base-Backbone interact. energy: -0.004
local terms energy: -67.365741
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -4.400
tors. eta vs tors. theta energy: -20.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -161.549892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.549892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.549892 (E_RNA)
where:
Base-Base interactions energy: -98.527
where: short stacking energy: -46.888
Base-Backbone interact. energy: -0.117
local terms energy: -62.905609
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -10.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -146.448234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.448234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.448234 (E_RNA)
where:
Base-Base interactions energy: -89.102
where: short stacking energy: -43.416
Base-Backbone interact. energy: -0.476
local terms energy: -56.869805
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -8.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -92.663681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.663681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.663681 (E_RNA)
where:
Base-Base interactions energy: -34.167
where: short stacking energy: -34.167
Base-Backbone interact. energy: -0.039
local terms energy: -58.457428
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -4.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -88.491515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.491515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.491515 (E_RNA)
where:
Base-Base interactions energy: -34.278
where: short stacking energy: -34.278
Base-Backbone interact. energy: -0.022
local terms energy: -54.191639
where:
bonds (distance) C4'-P energy: -9.610
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -9.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -79.290660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.290660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.290660 (E_RNA)
where:
Base-Base interactions energy: -24.964
where: short stacking energy: -24.964
Base-Backbone interact. energy: -0.224
local terms energy: -54.102885
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -0.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -76.164941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.164941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.164941 (E_RNA)
where:
Base-Base interactions energy: -29.382
where: short stacking energy: -29.382
Base-Backbone interact. energy: -0.107
local terms energy: -46.675327
where:
bonds (distance) C4'-P energy: -9.941
bonds (distance) P-C4' energy: -7.655
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -0.192
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: 4
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -221.873067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.873067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.873067 (E_RNA)
where:
Base-Base interactions energy: -148.796
where: short stacking energy: -59.238
Base-Backbone interact. energy: -0.026
local terms energy: -73.051309
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -15.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -210.425223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.425223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.425223 (E_RNA)
where:
Base-Base interactions energy: -138.773
where: short stacking energy: -59.549
Base-Backbone interact. energy: -0.098
local terms energy: -71.554274
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -18.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -212.478554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.478554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.478554 (E_RNA)
where:
Base-Base interactions energy: -136.803
where: short stacking energy: -60.557
Base-Backbone interact. energy: -0.444
local terms energy: -75.230890
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -18.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -212.849409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.849409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.849409 (E_RNA)
where:
Base-Base interactions energy: -145.217
where: short stacking energy: -61.870
Base-Backbone interact. energy: -0.065
local terms energy: -67.567897
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -14.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -164.660510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.660510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.660510 (E_RNA)
where:
Base-Base interactions energy: -111.117
where: short stacking energy: -43.732
Base-Backbone interact. energy: -0.412
local terms energy: -53.131629
where:
bonds (distance) C4'-P energy: -5.015
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -7.729
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: 3
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -166.239201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.239201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.239201 (E_RNA)
where:
Base-Base interactions energy: -107.109
where: short stacking energy: -54.323
Base-Backbone interact. energy: -0.391
local terms energy: -58.739120
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -8.639
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -12.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -91.207053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.207053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.207053 (E_RNA)
where:
Base-Base interactions energy: -30.196
where: short stacking energy: -30.196
Base-Backbone interact. energy: -0.145
local terms energy: -60.866534
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -5.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -88.500794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.500794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.500794 (E_RNA)
where:
Base-Base interactions energy: -41.910
where: short stacking energy: -34.744
Base-Backbone interact. energy: -0.098
local terms energy: -46.492477
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -8.059
flat angles P-C4'-P energy: -4.728
tors. eta vs tors. theta energy: -6.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -80.713392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.713392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.713392 (E_RNA)
where:
Base-Base interactions energy: -27.461
where: short stacking energy: -27.461
Base-Backbone interact. energy: -0.062
local terms energy: -53.190644
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -2.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -77.448731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.448731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.448731 (E_RNA)
where:
Base-Base interactions energy: -32.025
where: short stacking energy: -22.833
Base-Backbone interact. energy: 2.648
local terms energy: -48.071753
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -4.817
tors. eta vs tors. theta energy: -0.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -220.961194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.961194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.961194 (E_RNA)
where:
Base-Base interactions energy: -140.976
where: short stacking energy: -59.152
Base-Backbone interact. energy: -0.051
local terms energy: -79.933663
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -23.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -212.435187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.435187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.435187 (E_RNA)
where:
Base-Base interactions energy: -144.980
where: short stacking energy: -52.364
Base-Backbone interact. energy: -0.339
local terms energy: -67.116292
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -13.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -216.755016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.755016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.755016 (E_RNA)
where:
Base-Base interactions energy: -145.766
where: short stacking energy: -71.823
Base-Backbone interact. energy: -0.063
local terms energy: -70.926500
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -18.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -202.814955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.814955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.814955 (E_RNA)
where:
Base-Base interactions energy: -135.744
where: short stacking energy: -58.008
Base-Backbone interact. energy: -0.068
local terms energy: -67.003013
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -14.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -173.483002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.483002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.483002 (E_RNA)
where:
Base-Base interactions energy: -109.996
where: short stacking energy: -43.646
Base-Backbone interact. energy: -0.186
local terms energy: -63.300818
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -10.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -167.819927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.819927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.819927 (E_RNA)
where:
Base-Base interactions energy: -103.539
where: short stacking energy: -51.402
Base-Backbone interact. energy: -0.219
local terms energy: -64.061463
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -12.723
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -14.203
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: 7, replica: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -106.444489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.444489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.444489 (E_RNA)
where:
Base-Base interactions energy: -47.206
where: short stacking energy: -33.519
Base-Backbone interact. energy: -0.069
local terms energy: -59.169617
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -4.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -91.108478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.108478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.108478 (E_RNA)
where:
Base-Base interactions energy: -39.949
where: short stacking energy: -31.241
Base-Backbone interact. energy: -0.291
local terms energy: -50.867714
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -10.102
flat angles P-C4'-P energy: -5.418
tors. eta vs tors. theta energy: -9.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -99.333038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.333038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.333038 (E_RNA)
where:
Base-Base interactions energy: -38.166
where: short stacking energy: -37.746
Base-Backbone interact. energy: 0.126
local terms energy: -61.293392
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -71.166792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.166792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.166792 (E_RNA)
where:
Base-Base interactions energy: -19.717
where: short stacking energy: -19.717
Base-Backbone interact. energy: -0.113
local terms energy: -51.337732
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -9.128
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -4.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -225.159064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.159064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.159064 (E_RNA)
where:
Base-Base interactions energy: -143.587
where: short stacking energy: -64.306
Base-Backbone interact. energy: -0.003
local terms energy: -81.569646
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -22.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -221.572970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.572970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.572970 (E_RNA)
where:
Base-Base interactions energy: -150.881
where: short stacking energy: -65.051
Base-Backbone interact. energy: -0.656
local terms energy: -70.035799
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -18.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -215.957404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.957404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.957404 (E_RNA)
where:
Base-Base interactions energy: -142.608
where: short stacking energy: -66.447
Base-Backbone interact. energy: -0.078
local terms energy: -73.271358
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -21.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -184.606185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.606185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.606185 (E_RNA)
where:
Base-Base interactions energy: -119.538
where: short stacking energy: -54.303
Base-Backbone interact. energy: -0.109
local terms energy: -64.959337
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -17.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -194.784076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.784076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.784076 (E_RNA)
where:
Base-Base interactions energy: -124.953
where: short stacking energy: -67.037
Base-Backbone interact. energy: 0.450
local terms energy: -70.281146
where:
bonds (distance) C4'-P energy: -9.596
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -21.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -162.120068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.120068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.120068 (E_RNA)
where:
Base-Base interactions energy: -91.492
where: short stacking energy: -52.013
Base-Backbone interact. energy: -0.185
local terms energy: -70.443070
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -11.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -88.381896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.381896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.381896 (E_RNA)
where:
Base-Base interactions energy: -29.819
where: short stacking energy: -24.984
Base-Backbone interact. energy: -0.287
local terms energy: -58.276541
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -12.562
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -6.921
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: 7
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -79.634354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.634354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.634354 (E_RNA)
where:
Base-Base interactions energy: -26.324
where: short stacking energy: -25.398
Base-Backbone interact. energy: -0.010
local terms energy: -53.300605
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -2.133
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: 8
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -84.689595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.689595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.689595 (E_RNA)
where:
Base-Base interactions energy: -44.050
where: short stacking energy: -22.685
Base-Backbone interact. energy: -0.208
local terms energy: -40.431828
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -12.481
flat angles C4'-P-C4' energy: -6.965
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: 2.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -78.544454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.544454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.544454 (E_RNA)
where:
Base-Base interactions energy: -33.179
where: short stacking energy: -23.308
Base-Backbone interact. energy: 2.232
local terms energy: -47.597823
where:
bonds (distance) C4'-P energy: -10.086
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -4.827
tors. eta vs tors. theta energy: -3.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -221.275715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.275715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.275715 (E_RNA)
where:
Base-Base interactions energy: -143.425
where: short stacking energy: -68.366
Base-Backbone interact. energy: -0.001
local terms energy: -77.849687
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -17.045
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: 5
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -218.290929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.290929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.290929 (E_RNA)
where:
Base-Base interactions energy: -147.417
where: short stacking energy: -65.372
Base-Backbone interact. energy: 1.010
local terms energy: -71.883605
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -18.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -217.000220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.000220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.000220 (E_RNA)
where:
Base-Base interactions energy: -138.551
where: short stacking energy: -63.775
Base-Backbone interact. energy: -0.410
local terms energy: -78.038950
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -18.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -190.502559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.502559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.502559 (E_RNA)
where:
Base-Base interactions energy: -131.645
where: short stacking energy: -54.074
Base-Backbone interact. energy: -0.155
local terms energy: -58.703286
where:
bonds (distance) C4'-P energy: -8.033
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -14.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -182.284829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.284829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.284829 (E_RNA)
where:
Base-Base interactions energy: -115.113
where: short stacking energy: -59.901
Base-Backbone interact. energy: -0.021
local terms energy: -67.150518
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -13.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -175.407451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.407451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.407451 (E_RNA)
where:
Base-Base interactions energy: -118.391
where: short stacking energy: -56.918
Base-Backbone interact. energy: -0.160
local terms energy: -56.856447
where:
bonds (distance) C4'-P energy: -9.930
bonds (distance) P-C4' energy: -9.099
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -6.781
tors. eta vs tors. theta energy: -16.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -87.649291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.649291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.649291 (E_RNA)
where:
Base-Base interactions energy: -36.854
where: short stacking energy: -34.402
Base-Backbone interact. energy: -0.132
local terms energy: -50.663211
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -4.056
tors. eta vs tors. theta energy: -5.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -84.810349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.810349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.810349 (E_RNA)
where:
Base-Base interactions energy: -33.904
where: short stacking energy: -29.787
Base-Backbone interact. energy: -0.182
local terms energy: -50.723765
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -6.204
tors. eta vs tors. theta energy: -3.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -81.279878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.279878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.279878 (E_RNA)
where:
Base-Base interactions energy: -34.921
where: short stacking energy: -29.696
Base-Backbone interact. energy: -0.122
local terms energy: -46.237075
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -10.728
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -4.722
tors. eta vs tors. theta energy: -2.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -72.204301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.204301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.204301 (E_RNA)
where:
Base-Base interactions energy: -24.065
where: short stacking energy: -13.562
Base-Backbone interact. energy: 0.362
local terms energy: -48.501617
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -10.468
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: 4
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -226.358637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.358637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.358637 (E_RNA)
where:
Base-Base interactions energy: -148.310
where: short stacking energy: -64.546
Base-Backbone interact. energy: -0.026
local terms energy: -78.022257
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -14.159
tors. eta vs tors. theta energy: -19.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -219.903841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.903841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.903841 (E_RNA)
where:
Base-Base interactions energy: -142.104
where: short stacking energy: -53.280
Base-Backbone interact. energy: -0.374
local terms energy: -77.425442
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -14.579
tors. eta vs tors. theta energy: -19.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -221.842949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.842949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.842949 (E_RNA)
where:
Base-Base interactions energy: -146.156
where: short stacking energy: -69.606
Base-Backbone interact. energy: -0.685
local terms energy: -75.001471
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -21.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -191.471196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.471196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.471196 (E_RNA)
where:
Base-Base interactions energy: -123.085
where: short stacking energy: -39.567
Base-Backbone interact. energy: -0.578
local terms energy: -67.808594
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -10.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -162.181003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.181003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.181003 (E_RNA)
where:
Base-Base interactions energy: -92.380
where: short stacking energy: -49.003
Base-Backbone interact. energy: -0.015
local terms energy: -69.786560
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -14.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -185.920245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.920245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.920245 (E_RNA)
where:
Base-Base interactions energy: -126.330
where: short stacking energy: -53.351
Base-Backbone interact. energy: -0.225
local terms energy: -59.365215
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -11.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -87.072494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.072494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.072494 (E_RNA)
where:
Base-Base interactions energy: -33.291
where: short stacking energy: -33.291
Base-Backbone interact. energy: -0.103
local terms energy: -53.678408
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -5.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -83.477372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.477372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.477372 (E_RNA)
where:
Base-Base interactions energy: -23.574
where: short stacking energy: -23.574
Base-Backbone interact. energy: -1.074
local terms energy: -58.829169
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -5.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -80.011456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.011456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.011456 (E_RNA)
where:
Base-Base interactions energy: -31.198
where: short stacking energy: -31.080
Base-Backbone interact. energy: -0.242
local terms energy: -48.571377
where:
bonds (distance) C4'-P energy: -9.327
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: 1.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -74.620092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.620092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.620092 (E_RNA)
where:
Base-Base interactions energy: -41.429
where: short stacking energy: -23.804
Base-Backbone interact. energy: -0.106
local terms energy: -33.084638
where:
bonds (distance) C4'-P energy: -10.349
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -8.439
flat angles P-C4'-P energy: -2.810
tors. eta vs tors. theta energy: 1.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -230.695475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.695475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.695475 (E_RNA)
where:
Base-Base interactions energy: -149.789
where: short stacking energy: -62.013
Base-Backbone interact. energy: -0.113
local terms energy: -80.793289
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -18.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -217.410221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.410221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.410221 (E_RNA)
where:
Base-Base interactions energy: -139.186
where: short stacking energy: -62.694
Base-Backbone interact. energy: -0.035
local terms energy: -78.189083
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -20.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -218.264186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.264186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.264186 (E_RNA)
where:
Base-Base interactions energy: -143.784
where: short stacking energy: -67.149
Base-Backbone interact. energy: -0.063
local terms energy: -74.418041
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -17.425
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -19.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -193.672720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.672720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.672720 (E_RNA)
where:
Base-Base interactions energy: -128.986
where: short stacking energy: -45.087
Base-Backbone interact. energy: 0.430
local terms energy: -65.116687
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -9.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -186.663605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.663605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.663605 (E_RNA)
where:
Base-Base interactions energy: -125.189
where: short stacking energy: -61.866
Base-Backbone interact. energy: -0.055
local terms energy: -61.419132
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -15.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -153.226921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.226921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.226921 (E_RNA)
where:
Base-Base interactions energy: -94.334
where: short stacking energy: -46.557
Base-Backbone interact. energy: -0.498
local terms energy: -58.394717
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -11.530
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -9.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -94.167233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.167233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.167233 (E_RNA)
where:
Base-Base interactions energy: -41.892
where: short stacking energy: -40.876
Base-Backbone interact. energy: -0.028
local terms energy: -52.246900
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -8.989
flat angles C4'-P-C4' energy: -10.394
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -11.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -90.239094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.239094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.239094 (E_RNA)
where:
Base-Base interactions energy: -40.843
where: short stacking energy: -24.765
Base-Backbone interact. energy: -0.097
local terms energy: -49.299449
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -11.422
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -2.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -91.658713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.658713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.658713 (E_RNA)
where:
Base-Base interactions energy: -42.306
where: short stacking energy: -28.961
Base-Backbone interact. energy: 3.949
local terms energy: -53.301742
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -4.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -72.695064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.695064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.695064 (E_RNA)
where:
Base-Base interactions energy: -31.627
where: short stacking energy: -25.586
Base-Backbone interact. energy: 1.970
local terms energy: -43.038376
where:
bonds (distance) C4'-P energy: -8.883
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: 2.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -228.871925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.871925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.871925 (E_RNA)
where:
Base-Base interactions energy: -146.585
where: short stacking energy: -67.004
Base-Backbone interact. energy: -0.031
local terms energy: -82.256179
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -12.173
tors. eta vs tors. theta energy: -22.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -213.914561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.914561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.914561 (E_RNA)
where:
Base-Base interactions energy: -140.999
where: short stacking energy: -65.823
Base-Backbone interact. energy: -0.015
local terms energy: -72.900693
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -17.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -212.674010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.674010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.674010 (E_RNA)
where:
Base-Base interactions energy: -143.085
where: short stacking energy: -65.799
Base-Backbone interact. energy: -0.919
local terms energy: -68.670034
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -17.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -186.184850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.184850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.184850 (E_RNA)
where:
Base-Base interactions energy: -117.963
where: short stacking energy: -64.555
Base-Backbone interact. energy: -0.001
local terms energy: -68.220029
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -16.842
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: 3
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -194.765717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.765717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.765717 (E_RNA)
where:
Base-Base interactions energy: -129.491
where: short stacking energy: -52.998
Base-Backbone interact. energy: -0.311
local terms energy: -64.963567
where:
bonds (distance) C4'-P energy: -9.427
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -14.554
tors. eta vs tors. theta energy: -10.020
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: 6, replica: 1
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -178.792537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.792537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.792537 (E_RNA)
where:
Base-Base interactions energy: -121.265
where: short stacking energy: -60.307
Base-Backbone interact. energy: -0.004
local terms energy: -57.523655
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -5.597
tors. eta vs tors. theta energy: -14.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -89.789065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.789065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.789065 (E_RNA)
where:
Base-Base interactions energy: -38.975
where: short stacking energy: -34.573
Base-Backbone interact. energy: -0.113
local terms energy: -50.700994
where:
bonds (distance) C4'-P energy: -9.821
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -10.540
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -6.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -86.851543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.851543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.851543 (E_RNA)
where:
Base-Base interactions energy: -26.870
where: short stacking energy: -25.421
Base-Backbone interact. energy: 0.424
local terms energy: -60.405730
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -3.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -74.942936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.942936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.942936 (E_RNA)
where:
Base-Base interactions energy: -25.730
where: short stacking energy: -24.014
Base-Backbone interact. energy: 0.532
local terms energy: -49.745379
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: 2.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -73.037464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.037464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.037464 (E_RNA)
where:
Base-Base interactions energy: -27.063
where: short stacking energy: -27.063
Base-Backbone interact. energy: -0.090
local terms energy: -45.884730
where:
bonds (distance) C4'-P energy: -4.079
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -6.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -222.509262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.509262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.509262 (E_RNA)
where:
Base-Base interactions energy: -151.607
where: short stacking energy: -63.732
Base-Backbone interact. energy: -0.031
local terms energy: -70.871551
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -18.430
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: 2, replica: 2
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -215.204165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.204165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.204165 (E_RNA)
where:
Base-Base interactions energy: -136.404
where: short stacking energy: -67.474
Base-Backbone interact. energy: -0.062
local terms energy: -78.738328
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -21.284
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: 4
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -208.744112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.744112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.744112 (E_RNA)
where:
Base-Base interactions energy: -140.244
where: short stacking energy: -64.258
Base-Backbone interact. energy: -0.031
local terms energy: -68.469158
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -9.043
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -16.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -190.186894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.186894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.186894 (E_RNA)
where:
Base-Base interactions energy: -122.029
where: short stacking energy: -55.070
Base-Backbone interact. energy: -0.015
local terms energy: -68.143795
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -14.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -153.401515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.401515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.401515 (E_RNA)
where:
Base-Base interactions energy: -92.886
where: short stacking energy: -49.326
Base-Backbone interact. energy: -0.872
local terms energy: -59.642992
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -8.149
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -11.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -185.087354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.087354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.087354 (E_RNA)
where:
Base-Base interactions energy: -125.978
where: short stacking energy: -50.196
Base-Backbone interact. energy: -0.200
local terms energy: -58.909091
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -9.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -95.507996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.507996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.507996 (E_RNA)
where:
Base-Base interactions energy: -35.449
where: short stacking energy: -35.449
Base-Backbone interact. energy: -0.084
local terms energy: -59.974833
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: -5.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -82.241001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.241001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.241001 (E_RNA)
where:
Base-Base interactions energy: -32.509
where: short stacking energy: -18.787
Base-Backbone interact. energy: 0.098
local terms energy: -49.830381
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: 1.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -74.589256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.589256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.589256 (E_RNA)
where:
Base-Base interactions energy: -22.812
where: short stacking energy: -11.736
Base-Backbone interact. energy: -0.245
local terms energy: -51.531834
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -10.700
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: 2.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -79.123629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.123629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.123629 (E_RNA)
where:
Base-Base interactions energy: -31.706
where: short stacking energy: -31.706
Base-Backbone interact. energy: -0.019
local terms energy: -47.398649
where:
bonds (distance) C4'-P energy: -9.782
bonds (distance) P-C4' energy: -12.315
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -3.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -231.718192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.718192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.718192 (E_RNA)
where:
Base-Base interactions energy: -156.538
where: short stacking energy: -68.097
Base-Backbone interact. energy: -0.087
local terms energy: -75.093771
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -21.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -210.329816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.329816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.329816 (E_RNA)
where:
Base-Base interactions energy: -139.559
where: short stacking energy: -57.132
Base-Backbone interact. energy: -0.049
local terms energy: -70.722035
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -10.304
tors. eta vs tors. theta energy: -15.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -212.455833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.455833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.455833 (E_RNA)
where:
Base-Base interactions energy: -140.704
where: short stacking energy: -64.690
Base-Backbone interact. energy: -0.101
local terms energy: -71.650826
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -19.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -207.085577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.085577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.085577 (E_RNA)
where:
Base-Base interactions energy: -128.330
where: short stacking energy: -64.701
Base-Backbone interact. energy: -0.013
local terms energy: -78.742353
where:
bonds (distance) C4'-P energy: -17.605
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -19.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -171.953406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.953406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.953406 (E_RNA)
where:
Base-Base interactions energy: -107.470
where: short stacking energy: -55.517
Base-Backbone interact. energy: -0.319
local terms energy: -64.163660
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -11.354
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -15.296
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: 6, replica: 3
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -185.751092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.751092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.751092 (E_RNA)
where:
Base-Base interactions energy: -123.326
where: short stacking energy: -55.913
Base-Backbone interact. energy: -0.340
local terms energy: -62.085146
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -13.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -86.233639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.233639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.233639 (E_RNA)
where:
Base-Base interactions energy: -32.322
where: short stacking energy: -32.322
Base-Backbone interact. energy: -0.122
local terms energy: -53.790055
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -11.303
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -2.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -90.112017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.112017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.112017 (E_RNA)
where:
Base-Base interactions energy: -29.672
where: short stacking energy: -26.034
Base-Backbone interact. energy: 1.127
local terms energy: -61.566873
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -5.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -77.373830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.373830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.373830 (E_RNA)
where:
Base-Base interactions energy: -24.609
where: short stacking energy: -24.609
Base-Backbone interact. energy: -0.192
local terms energy: -52.572786
where:
bonds (distance) C4'-P energy: -8.966
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -10.210
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -5.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -78.456542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.456542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.456542 (E_RNA)
where:
Base-Base interactions energy: -37.915
where: short stacking energy: -32.300
Base-Backbone interact. energy: 1.511
local terms energy: -42.052207
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -6.235
flat angles P-C4'-P energy: -2.527
tors. eta vs tors. theta energy: -6.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -224.944394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.944394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.944394 (E_RNA)
where:
Base-Base interactions energy: -159.782
where: short stacking energy: -56.688
Base-Backbone interact. energy: -0.189
local terms energy: -64.973346
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -4.543
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -17.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -223.682142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.682142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.682142 (E_RNA)
where:
Base-Base interactions energy: -150.798
where: short stacking energy: -57.360
Base-Backbone interact. energy: -0.092
local terms energy: -72.791584
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -17.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -227.269453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.269453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.269453 (E_RNA)
where:
Base-Base interactions energy: -143.237
where: short stacking energy: -68.849
Base-Backbone interact. energy: 0.006
local terms energy: -84.038920
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -22.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -209.215309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.215309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.215309 (E_RNA)
where:
Base-Base interactions energy: -138.014
where: short stacking energy: -64.684
Base-Backbone interact. energy: -0.223
local terms energy: -70.977976
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -16.512
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: 1
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -177.501322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.501322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.501322 (E_RNA)
where:
Base-Base interactions energy: -116.154
where: short stacking energy: -61.107
Base-Backbone interact. energy: -0.012
local terms energy: -61.335881
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -8.097
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -15.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -153.008101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.008101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.008101 (E_RNA)
where:
Base-Base interactions energy: -95.387
where: short stacking energy: -49.255
Base-Backbone interact. energy: 0.028
local terms energy: -57.649380
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -9.976
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -11.052
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: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -84.536606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.536606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.536606 (E_RNA)
where:
Base-Base interactions energy: -36.981
where: short stacking energy: -24.849
Base-Backbone interact. energy: -0.115
local terms energy: -47.440445
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -7.341
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -0.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -85.373758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.373758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.373758 (E_RNA)
where:
Base-Base interactions energy: -31.613
where: short stacking energy: -27.667
Base-Backbone interact. energy: -0.555
local terms energy: -53.205186
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -6.616
tors. eta vs tors. theta energy: -2.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -87.377735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.377735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.377735 (E_RNA)
where:
Base-Base interactions energy: -32.384
where: short stacking energy: -32.384
Base-Backbone interact. energy: -0.017
local terms energy: -54.976753
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -6.941
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -9.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -73.727722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.727722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.727722 (E_RNA)
where:
Base-Base interactions energy: -29.988
where: short stacking energy: -21.921
Base-Backbone interact. energy: 5.302
local terms energy: -49.042654
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: 3.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -225.404565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.404565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.404565 (E_RNA)
where:
Base-Base interactions energy: -149.523
where: short stacking energy: -63.962
Base-Backbone interact. energy: -0.176
local terms energy: -75.705493
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -18.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -226.287645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.287645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.287645 (E_RNA)
where:
Base-Base interactions energy: -151.921
where: short stacking energy: -73.797
Base-Backbone interact. energy: -0.004
local terms energy: -74.363157
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -19.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -213.777939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.777939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.777939 (E_RNA)
where:
Base-Base interactions energy: -144.210
where: short stacking energy: -63.330
Base-Backbone interact. energy: -0.137
local terms energy: -69.431164
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -12.866
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -205.849619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.849619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.849619 (E_RNA)
where:
Base-Base interactions energy: -127.483
where: short stacking energy: -58.068
Base-Backbone interact. energy: -0.022
local terms energy: -78.344407
where:
bonds (distance) C4'-P energy: -16.620
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -13.314
tors. eta vs tors. theta energy: -21.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -170.230373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.230373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.230373 (E_RNA)
where:
Base-Base interactions energy: -105.165
where: short stacking energy: -61.217
Base-Backbone interact. energy: -0.057
local terms energy: -65.008516
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -11.833
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -16.721
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: 3
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -166.271124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.271124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.271124 (E_RNA)
where:
Base-Base interactions energy: -112.573
where: short stacking energy: -54.553
Base-Backbone interact. energy: -0.023
local terms energy: -53.674475
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -11.003
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -11.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -109.081792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.081792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.081792 (E_RNA)
where:
Base-Base interactions energy: -53.627
where: short stacking energy: -46.435
Base-Backbone interact. energy: -0.370
local terms energy: -55.084539
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -5.049
tors. eta vs tors. theta energy: -10.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -77.298236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.298236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.298236 (E_RNA)
where:
Base-Base interactions energy: -28.785
where: short stacking energy: -28.654
Base-Backbone interact. energy: -0.277
local terms energy: -48.235706
where:
bonds (distance) C4'-P energy: -9.255
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -1.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -82.005412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.005412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.005412 (E_RNA)
where:
Base-Base interactions energy: -30.358
where: short stacking energy: -30.358
Base-Backbone interact. energy: -0.035
local terms energy: -51.612473
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -6.614
tors. eta vs tors. theta energy: -1.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -63.905125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.905125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.905125 (E_RNA)
where:
Base-Base interactions energy: -20.983
where: short stacking energy: -17.355
Base-Backbone interact. energy: -0.471
local terms energy: -42.451438
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -9.929
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: 2.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -230.986863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.986863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.986863 (E_RNA)
where:
Base-Base interactions energy: -160.845
where: short stacking energy: -66.466
Base-Backbone interact. energy: -0.005
local terms energy: -70.136991
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -16.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -211.571426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.571426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.571426 (E_RNA)
where:
Base-Base interactions energy: -139.232
where: short stacking energy: -61.178
Base-Backbone interact. energy: -0.603
local terms energy: -71.735969
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -13.147
tors. eta vs tors. theta energy: -15.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -207.032167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.032167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.032167 (E_RNA)
where:
Base-Base interactions energy: -135.059
where: short stacking energy: -61.884
Base-Backbone interact. energy: -0.783
local terms energy: -71.190210
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -16.767
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: 152
Temperature: 1.050000
Total energy: -205.546801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.546801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.546801 (E_RNA)
where:
Base-Base interactions energy: -129.060
where: short stacking energy: -67.599
Base-Backbone interact. energy: -0.011
local terms energy: -76.475850
where:
bonds (distance) C4'-P energy: -10.589
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -18.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -182.837020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.837020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.837020 (E_RNA)
where:
Base-Base interactions energy: -122.721
where: short stacking energy: -59.998
Base-Backbone interact. energy: -0.162
local terms energy: -59.954319
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -10.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -199.646457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.646457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.646457 (E_RNA)
where:
Base-Base interactions energy: -129.129
where: short stacking energy: -60.354
Base-Backbone interact. energy: -0.162
local terms energy: -70.354903
where:
bonds (distance) C4'-P energy: -11.599
bonds (distance) P-C4' energy: -11.368
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -20.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -95.386178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.386178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.386178 (E_RNA)
where:
Base-Base interactions energy: -37.294
where: short stacking energy: -37.294
Base-Backbone interact. energy: -0.002
local terms energy: -58.090218
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -8.850
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -9.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -91.066325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.066325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.066325 (E_RNA)
where:
Base-Base interactions energy: -34.143
where: short stacking energy: -32.811
Base-Backbone interact. energy: -0.034
local terms energy: -56.889946
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -5.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -86.777550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.777550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.777550 (E_RNA)
where:
Base-Base interactions energy: -34.106
where: short stacking energy: -30.024
Base-Backbone interact. energy: -0.096
local terms energy: -52.575808
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -1.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -78.706862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.706862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.706862 (E_RNA)
where:
Base-Base interactions energy: -32.000
where: short stacking energy: -28.088
Base-Backbone interact. energy: -0.081
local terms energy: -46.626100
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -10.782
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -6.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -228.306733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.306733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.306733 (E_RNA)
where:
Base-Base interactions energy: -155.195
where: short stacking energy: -68.234
Base-Backbone interact. energy: 0.128
local terms energy: -73.239849
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -17.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -219.922757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.922757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.922757 (E_RNA)
where:
Base-Base interactions energy: -144.461
where: short stacking energy: -67.843
Base-Backbone interact. energy: -0.021
local terms energy: -75.440368
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -14.663
tors. eta vs tors. theta energy: -17.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -213.966105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.966105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.966105 (E_RNA)
where:
Base-Base interactions energy: -140.623
where: short stacking energy: -67.741
Base-Backbone interact. energy: -0.010
local terms energy: -73.333140
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -19.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -177.002155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.002155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.002155 (E_RNA)
where:
Base-Base interactions energy: -120.252
where: short stacking energy: -64.471
Base-Backbone interact. energy: -0.006
local terms energy: -56.743910
where:
bonds (distance) C4'-P energy: -4.961
bonds (distance) P-C4' energy: -6.753
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -18.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -195.640725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.640725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.640725 (E_RNA)
where:
Base-Base interactions energy: -134.198
where: short stacking energy: -55.118
Base-Backbone interact. energy: -0.039
local terms energy: -61.403734
where:
bonds (distance) C4'-P energy: -9.682
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -6.080
tors. eta vs tors. theta energy: -18.851
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: 8
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -95.701337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.701337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.701337 (E_RNA)
where:
Base-Base interactions energy: -41.085
where: short stacking energy: -41.085
Base-Backbone interact. energy: -0.013
local terms energy: -54.603806
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -8.066
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -9.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -182.414131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.414131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.414131 (E_RNA)
where:
Base-Base interactions energy: -115.971
where: short stacking energy: -56.973
Base-Backbone interact. energy: -0.162
local terms energy: -66.281852
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -11.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -84.561122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.561122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.561122 (E_RNA)
where:
Base-Base interactions energy: -34.099
where: short stacking energy: -21.672
Base-Backbone interact. energy: -0.282
local terms energy: -50.180360
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -2.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -73.555617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.555617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.555617 (E_RNA)
where:
Base-Base interactions energy: -21.916
where: short stacking energy: -18.996
Base-Backbone interact. energy: -0.164
local terms energy: -51.475277
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: 2.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -74.621632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.621632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.621632 (E_RNA)
where:
Base-Base interactions energy: -27.421
where: short stacking energy: -22.840
Base-Backbone interact. energy: 0.002
local terms energy: -47.201994
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: 0.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -226.361814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.361814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.361814 (E_RNA)
where:
Base-Base interactions energy: -151.741
where: short stacking energy: -61.421
Base-Backbone interact. energy: -0.003
local terms energy: -74.617346
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -5.693
tors. eta vs tors. theta energy: -22.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -221.417541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.417541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.417541 (E_RNA)
where:
Base-Base interactions energy: -146.760
where: short stacking energy: -68.286
Base-Backbone interact. energy: -0.007
local terms energy: -74.650405
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -18.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -211.267992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.267992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.267992 (E_RNA)
where:
Base-Base interactions energy: -136.566
where: short stacking energy: -61.385
Base-Backbone interact. energy: -0.041
local terms energy: -74.661216
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -18.032
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: 1
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -163.443995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.443995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.443995 (E_RNA)
where:
Base-Base interactions energy: -101.625
where: short stacking energy: -49.322
Base-Backbone interact. energy: -0.392
local terms energy: -61.426828
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -9.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -100.067581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.067581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.067581 (E_RNA)
where:
Base-Base interactions energy: -39.289
where: short stacking energy: -39.389
Base-Backbone interact. energy: -0.175
local terms energy: -60.603510
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -7.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -177.570757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.570757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.570757 (E_RNA)
where:
Base-Base interactions energy: -116.831
where: short stacking energy: -53.066
Base-Backbone interact. energy: -0.093
local terms energy: -60.647108
where:
bonds (distance) C4'-P energy: -8.347
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -14.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -187.755251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.755251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.755251 (E_RNA)
where:
Base-Base interactions energy: -117.647
where: short stacking energy: -56.458
Base-Backbone interact. energy: -0.016
local terms energy: -70.091560
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -17.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -80.124146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.124146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.124146 (E_RNA)
where:
Base-Base interactions energy: -31.561
where: short stacking energy: -30.555
Base-Backbone interact. energy: -0.098
local terms energy: -48.465174
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -10.186
flat angles P-C4'-P energy: -5.402
tors. eta vs tors. theta energy: -3.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -77.458646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.458646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.458646 (E_RNA)
where:
Base-Base interactions energy: -32.319
where: short stacking energy: -10.789
Base-Backbone interact. energy: -0.516
local terms energy: -44.623880
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -13.950
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: 2.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -72.741515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.741515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.741515 (E_RNA)
where:
Base-Base interactions energy: -35.262
where: short stacking energy: -22.487
Base-Backbone interact. energy: -0.135
local terms energy: -37.344258
where:
bonds (distance) C4'-P energy: -8.116
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -10.454
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: 2.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -227.042222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.042222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.042222 (E_RNA)
where:
Base-Base interactions energy: -149.309
where: short stacking energy: -65.422
Base-Backbone interact. energy: -0.003
local terms energy: -77.729544
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -22.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -209.540586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.540586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.540586 (E_RNA)
where:
Base-Base interactions energy: -133.741
where: short stacking energy: -49.213
Base-Backbone interact. energy: -0.621
local terms energy: -75.178850
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -19.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -217.906834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.906834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.906834 (E_RNA)
where:
Base-Base interactions energy: -158.275
where: short stacking energy: -64.095
Base-Backbone interact. energy: -0.143
local terms energy: -59.489265
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -14.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -176.788318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.788318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.788318 (E_RNA)
where:
Base-Base interactions energy: -114.344
where: short stacking energy: -40.426
Base-Backbone interact. energy: -0.825
local terms energy: -61.619850
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -12.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -99.173960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.173960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.173960 (E_RNA)
where:
Base-Base interactions energy: -36.790
where: short stacking energy: -36.790
Base-Backbone interact. energy: -0.080
local terms energy: -62.303581
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -2.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -218.289712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.289712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.289712 (E_RNA)
where:
Base-Base interactions energy: -137.745
where: short stacking energy: -68.109
Base-Backbone interact. energy: -0.351
local terms energy: -80.193432
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -21.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -169.589859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.589859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.589859 (E_RNA)
where:
Base-Base interactions energy: -106.152
where: short stacking energy: -49.420
Base-Backbone interact. energy: -0.016
local terms energy: -63.422058
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -10.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -91.648641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.648641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.648641 (E_RNA)
where:
Base-Base interactions energy: -38.015
where: short stacking energy: -38.015
Base-Backbone interact. energy: -0.016
local terms energy: -53.617031
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -12.308
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -6.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -79.770724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.770724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.770724 (E_RNA)
where:
Base-Base interactions energy: -25.915
where: short stacking energy: -19.568
Base-Backbone interact. energy: 0.532
local terms energy: -54.387701
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -2.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -74.260821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.260821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.260821 (E_RNA)
where:
Base-Base interactions energy: -32.148
where: short stacking energy: -30.808
Base-Backbone interact. energy: -0.041
local terms energy: -42.072058
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -8.847
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -3.264
tors. eta vs tors. theta energy: -3.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -215.288986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.288986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.288986 (E_RNA)
where:
Base-Base interactions energy: -138.062
where: short stacking energy: -62.224
Base-Backbone interact. energy: -1.442
local terms energy: -75.784451
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -13.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -217.170808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.170808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.170808 (E_RNA)
where:
Base-Base interactions energy: -137.721
where: short stacking energy: -71.762
Base-Backbone interact. energy: -0.001
local terms energy: -79.448812
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -19.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -221.152507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.152507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.152507 (E_RNA)
where:
Base-Base interactions energy: -140.768
where: short stacking energy: -72.003
Base-Backbone interact. energy: 0.217
local terms energy: -80.600950
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -20.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -180.850729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.850729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.850729 (E_RNA)
where:
Base-Base interactions energy: -112.816
where: short stacking energy: -57.891
Base-Backbone interact. energy: -0.081
local terms energy: -67.953381
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -7.553
flat angles C4'-P-C4' energy: -17.692
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -17.139
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: 5, replica: 5
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -201.486875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.486875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.486875 (E_RNA)
where:
Base-Base interactions energy: -131.669
where: short stacking energy: -64.275
Base-Backbone interact. energy: -0.084
local terms energy: -69.733018
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -21.200
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: 156
Temperature: 1.150000
Total energy: -94.342962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.342962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.342962 (E_RNA)
where:
Base-Base interactions energy: -39.815
where: short stacking energy: -35.915
Base-Backbone interact. energy: -0.004
local terms energy: -54.523787
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -6.324
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -11.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -167.042294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.042294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.042294 (E_RNA)
where:
Base-Base interactions energy: -110.315
where: short stacking energy: -48.922
Base-Backbone interact. energy: -0.002
local terms energy: -56.725317
where:
bonds (distance) C4'-P energy: -10.368
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -14.814
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: 8, replica: 10
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -95.169115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.169115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.169115 (E_RNA)
where:
Base-Base interactions energy: -39.796
where: short stacking energy: -39.109
Base-Backbone interact. energy: -0.141
local terms energy: -55.232366
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -11.498
flat angles C4'-P-C4' energy: -10.399
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -7.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -90.753220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.753220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.753220 (E_RNA)
where:
Base-Base interactions energy: -54.881
where: short stacking energy: -24.267
Base-Backbone interact. energy: 1.814
local terms energy: -37.686478
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -10.180
flat angles C4'-P-C4' energy: -10.495
flat angles P-C4'-P energy: -4.994
tors. eta vs tors. theta energy: 1.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -79.116566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.116566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.116566 (E_RNA)
where:
Base-Base interactions energy: -26.781
where: short stacking energy: -23.889
Base-Backbone interact. energy: -0.457
local terms energy: -51.879454
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: 0.511
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: 4
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -219.736233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.736233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.736233 (E_RNA)
where:
Base-Base interactions energy: -147.995
where: short stacking energy: -68.087
Base-Backbone interact. energy: -0.017
local terms energy: -71.724972
where:
bonds (distance) C4'-P energy: -12.184
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -20.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -217.090608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.090608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.090608 (E_RNA)
where:
Base-Base interactions energy: -146.844
where: short stacking energy: -60.836
Base-Backbone interact. energy: -0.033
local terms energy: -70.213684
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -17.718
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: 6
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -212.016552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.016552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.016552 (E_RNA)
where:
Base-Base interactions energy: -137.412
where: short stacking energy: -67.214
Base-Backbone interact. energy: -0.042
local terms energy: -74.562616
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -19.435
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: 4, replica: 5
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -207.356640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.356640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.356640 (E_RNA)
where:
Base-Base interactions energy: -133.583
where: short stacking energy: -58.558
Base-Backbone interact. energy: 0.075
local terms energy: -73.849128
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -18.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -188.201828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.201828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.201828 (E_RNA)
where:
Base-Base interactions energy: -118.412
where: short stacking energy: -63.732
Base-Backbone interact. energy: -0.775
local terms energy: -69.015213
where:
bonds (distance) C4'-P energy: -9.541
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -19.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -169.229797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.229797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.229797 (E_RNA)
where:
Base-Base interactions energy: -102.104
where: short stacking energy: -50.239
Base-Backbone interact. energy: -0.011
local terms energy: -67.114342
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -15.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -95.605540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.605540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.605540 (E_RNA)
where:
Base-Base interactions energy: -37.767
where: short stacking energy: -36.516
Base-Backbone interact. energy: -0.047
local terms energy: -57.791295
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -9.014
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -9.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -81.537113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.537113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.537113 (E_RNA)
where:
Base-Base interactions energy: -33.051
where: short stacking energy: -33.051
Base-Backbone interact. energy: -0.092
local terms energy: -48.394033
where:
bonds (distance) C4'-P energy: -7.483
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -1.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -90.906110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.906110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.906110 (E_RNA)
where:
Base-Base interactions energy: -40.359
where: short stacking energy: -25.453
Base-Backbone interact. energy: -0.201
local terms energy: -50.345394
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -8.659
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -3.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -70.733712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.733712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.733712 (E_RNA)
where:
Base-Base interactions energy: -24.547
where: short stacking energy: -24.547
Base-Backbone interact. energy: -0.097
local terms energy: -46.090200
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -10.065
flat angles C4'-P-C4' energy: -9.570
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -3.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -228.595281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.595281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.595281 (E_RNA)
where:
Base-Base interactions energy: -148.735
where: short stacking energy: -66.335
Base-Backbone interact. energy: -0.096
local terms energy: -79.764035
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -22.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -209.058666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.058666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.058666 (E_RNA)
where:
Base-Base interactions energy: -140.027
where: short stacking energy: -62.038
Base-Backbone interact. energy: 0.290
local terms energy: -69.321080
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -17.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -218.190945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.190945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.190945 (E_RNA)
where:
Base-Base interactions energy: -141.197
where: short stacking energy: -69.446
Base-Backbone interact. energy: -0.004
local terms energy: -76.990213
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -19.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -207.564065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.564065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.564065 (E_RNA)
where:
Base-Base interactions energy: -133.189
where: short stacking energy: -51.764
Base-Backbone interact. energy: -0.183
local terms energy: -74.191861
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -19.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -206.038063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.038063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.038063 (E_RNA)
where:
Base-Base interactions energy: -132.814
where: short stacking energy: -63.312
Base-Backbone interact. energy: -0.056
local terms energy: -73.168466
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -18.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -181.688700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.688700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.688700 (E_RNA)
where:
Base-Base interactions energy: -106.390
where: short stacking energy: -55.387
Base-Backbone interact. energy: -0.019
local terms energy: -75.279914
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -15.350
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: 7
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -85.365120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.365120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.365120 (E_RNA)
where:
Base-Base interactions energy: -34.424
where: short stacking energy: -27.191
Base-Backbone interact. energy: -0.084
local terms energy: -50.857331
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -11.975
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -5.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -83.060412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.060412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.060412 (E_RNA)
where:
Base-Base interactions energy: -31.273
where: short stacking energy: -27.133
Base-Backbone interact. energy: -0.122
local terms energy: -51.665522
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -4.092
tors. eta vs tors. theta energy: -5.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -83.813019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.813019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.813019 (E_RNA)
where:
Base-Base interactions energy: -38.904
where: short stacking energy: -17.475
Base-Backbone interact. energy: 1.461
local terms energy: -46.370259
where:
bonds (distance) C4'-P energy: -9.300
bonds (distance) P-C4' energy: -14.344
flat angles C4'-P-C4' energy: -9.514
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -3.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -81.940863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.940863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.940863 (E_RNA)
where:
Base-Base interactions energy: -23.030
where: short stacking energy: -23.026
Base-Backbone interact. energy: 0.817
local terms energy: -59.728343
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -2.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -230.318214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.318214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.318214 (E_RNA)
where:
Base-Base interactions energy: -149.797
where: short stacking energy: -54.754
Base-Backbone interact. energy: -0.133
local terms energy: -80.388237
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -20.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -218.987427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.987427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.987427 (E_RNA)
where:
Base-Base interactions energy: -147.506
where: short stacking energy: -64.627
Base-Backbone interact. energy: -0.004
local terms energy: -71.478129
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -20.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -202.824380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.824380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.824380 (E_RNA)
where:
Base-Base interactions energy: -137.847
where: short stacking energy: -54.444
Base-Backbone interact. energy: -0.112
local terms energy: -64.864854
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -8.849
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -16.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -191.225889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.225889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.225889 (E_RNA)
where:
Base-Base interactions energy: -126.688
where: short stacking energy: -50.993
Base-Backbone interact. energy: 1.085
local terms energy: -65.623487
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -13.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -197.366335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.366335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.366335 (E_RNA)
where:
Base-Base interactions energy: -131.541
where: short stacking energy: -67.588
Base-Backbone interact. energy: -0.001
local terms energy: -65.824417
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -11.188
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -21.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -180.778620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.778620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.778620 (E_RNA)
where:
Base-Base interactions energy: -119.126
where: short stacking energy: -61.814
Base-Backbone interact. energy: 0.825
local terms energy: -62.477293
where:
bonds (distance) C4'-P energy: -8.667
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -13.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -85.855195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.855195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.855195 (E_RNA)
where:
Base-Base interactions energy: -34.114
where: short stacking energy: -30.217
Base-Backbone interact. energy: -0.060
local terms energy: -51.681441
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -4.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -101.364729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.364729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.364729 (E_RNA)
where:
Base-Base interactions energy: -38.182
where: short stacking energy: -36.708
Base-Backbone interact. energy: -0.023
local terms energy: -63.159904
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -9.911
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: 9, replica: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -92.476212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.476212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.476212 (E_RNA)
where:
Base-Base interactions energy: -28.573
where: short stacking energy: -28.573
Base-Backbone interact. energy: 0.120
local terms energy: -64.023378
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -6.402
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: 10
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -83.749444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.749444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.749444 (E_RNA)
where:
Base-Base interactions energy: -44.064
where: short stacking energy: -22.617
Base-Backbone interact. energy: -0.206
local terms energy: -39.479881
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -8.000
flat angles P-C4'-P energy: -4.033
tors. eta vs tors. theta energy: -0.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -220.299492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.299492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.299492 (E_RNA)
where:
Base-Base interactions energy: -151.543
where: short stacking energy: -66.990
Base-Backbone interact. energy: -0.257
local terms energy: -68.499582
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -5.853
tors. eta vs tors. theta energy: -19.663
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: 2, replica: 2
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -227.976768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.976768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.976768 (E_RNA)
where:
Base-Base interactions energy: -151.746
where: short stacking energy: -62.177
Base-Backbone interact. energy: -0.030
local terms energy: -76.200826
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -19.489
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: 160
Temperature: 1.000000
Total energy: -190.363549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.363549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.363549 (E_RNA)
where:
Base-Base interactions energy: -126.564
where: short stacking energy: -49.588
Base-Backbone interact. energy: 0.148
local terms energy: -63.946635
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -12.210
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: 4, replica: 4
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -197.254931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.254931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.254931 (E_RNA)
where:
Base-Base interactions energy: -125.111
where: short stacking energy: -48.460
Base-Backbone interact. energy: -0.219
local terms energy: -71.925376
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -14.478
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: 5, replica: 5
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -206.580231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.580231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.580231 (E_RNA)
where:
Base-Base interactions energy: -137.355
where: short stacking energy: -62.410
Base-Backbone interact. energy: -0.011
local terms energy: -69.213990
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -17.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -157.934561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.934561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.934561 (E_RNA)
where:
Base-Base interactions energy: -95.418
where: short stacking energy: -40.041
Base-Backbone interact. energy: -0.025
local terms energy: -62.491990
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -12.450
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -10.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -93.782677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.782677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.782677 (E_RNA)
where:
Base-Base interactions energy: -44.361
where: short stacking energy: -37.916
Base-Backbone interact. energy: -0.276
local terms energy: -49.145244
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: 1.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -102.701281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.701281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.701281 (E_RNA)
where:
Base-Base interactions energy: -54.571
where: short stacking energy: -29.339
Base-Backbone interact. energy: -0.106
local terms energy: -48.023794
where:
bonds (distance) C4'-P energy: -10.190
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -10.447
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -4.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -83.224152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.224152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.224152 (E_RNA)
where:
Base-Base interactions energy: -44.062
where: short stacking energy: -20.250
Base-Backbone interact. energy: 0.126
local terms energy: -39.288529
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -17.161
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -0.811
tors. eta vs tors. theta energy: 2.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -77.337396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.337396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.337396 (E_RNA)
where:
Base-Base interactions energy: -32.737
where: short stacking energy: -32.737
Base-Backbone interact. energy: 0.276
local terms energy: -44.876909
where:
bonds (distance) C4'-P energy: -9.750
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -5.027
tors. eta vs tors. theta energy: -5.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -229.737730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.737730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.737730 (E_RNA)
where:
Base-Base interactions energy: -153.478
where: short stacking energy: -68.982
Base-Backbone interact. energy: -0.225
local terms energy: -76.035153
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -18.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -226.129573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.129573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.129573 (E_RNA)
where:
Base-Base interactions energy: -155.300
where: short stacking energy: -64.841
Base-Backbone interact. energy: -0.012
local terms energy: -70.818306
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -18.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -207.745003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.745003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.745003 (E_RNA)
where:
Base-Base interactions energy: -133.933
where: short stacking energy: -59.142
Base-Backbone interact. energy: -0.030
local terms energy: -73.782401
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -16.719
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: 5
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -210.114881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.114881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.114881 (E_RNA)
where:
Base-Base interactions energy: -134.336
where: short stacking energy: -63.405
Base-Backbone interact. energy: -0.017
local terms energy: -75.761995
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -10.367
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -20.208
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: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -201.301108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.301108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.301108 (E_RNA)
where:
Base-Base interactions energy: -130.177
where: short stacking energy: -56.111
Base-Backbone interact. energy: -0.603
local terms energy: -70.520842
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -17.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -89.984948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.984948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.984948 (E_RNA)
where:
Base-Base interactions energy: -40.895
where: short stacking energy: -35.999
Base-Backbone interact. energy: -0.384
local terms energy: -48.706537
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -4.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -135.184156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.184156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.184156 (E_RNA)
where:
Base-Base interactions energy: -78.147
where: short stacking energy: -33.841
Base-Backbone interact. energy: -0.253
local terms energy: -56.783439
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -2.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -87.564244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.564244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.564244 (E_RNA)
where:
Base-Base interactions energy: -45.580
where: short stacking energy: -24.031
Base-Backbone interact. energy: -0.233
local terms energy: -41.751699
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -6.393
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: 9, replica: 7
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -116.422593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.422593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.422593 (E_RNA)
where:
Base-Base interactions energy: -55.523
where: short stacking energy: -28.037
Base-Backbone interact. energy: -0.032
local terms energy: -60.867370
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -7.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -77.149497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.149497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.149497 (E_RNA)
where:
Base-Base interactions energy: -33.114
where: short stacking energy: -24.320
Base-Backbone interact. energy: -0.067
local terms energy: -43.968471
where:
bonds (distance) C4'-P energy: -9.284
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -3.249
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: 2
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -219.762416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.762416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.762416 (E_RNA)
where:
Base-Base interactions energy: -139.666
where: short stacking energy: -71.099
Base-Backbone interact. energy: -0.022
local terms energy: -80.074742
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -19.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -217.734380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.734380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.734380 (E_RNA)
where:
Base-Base interactions energy: -141.986
where: short stacking energy: -61.447
Base-Backbone interact. energy: -0.095
local terms energy: -75.652505
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -22.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -217.089141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.089141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.089141 (E_RNA)
where:
Base-Base interactions energy: -140.620
where: short stacking energy: -58.770
Base-Backbone interact. energy: -0.033
local terms energy: -76.436483
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -18.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -214.562768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.562768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.562768 (E_RNA)
where:
Base-Base interactions energy: -147.095
where: short stacking energy: -68.183
Base-Backbone interact. energy: -0.171
local terms energy: -67.296901
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -10.860
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -18.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -193.786330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.786330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.786330 (E_RNA)
where:
Base-Base interactions energy: -128.492
where: short stacking energy: -60.279
Base-Backbone interact. energy: -0.125
local terms energy: -65.169547
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -11.310
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -6.440
tors. eta vs tors. theta energy: -16.046
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: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -94.155986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.155986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.155986 (E_RNA)
where:
Base-Base interactions energy: -42.087
where: short stacking energy: -19.755
Base-Backbone interact. energy: -0.401
local terms energy: -51.667075
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -7.440
tors. eta vs tors. theta energy: -2.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -92.582869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.582869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.582869 (E_RNA)
where:
Base-Base interactions energy: -44.584
where: short stacking energy: -22.796
Base-Backbone interact. energy: -0.334
local terms energy: -47.665225
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -12.739
flat angles C4'-P-C4' energy: -10.379
flat angles P-C4'-P energy: -6.727
tors. eta vs tors. theta energy: -0.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -99.961138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.961138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.961138 (E_RNA)
where:
Base-Base interactions energy: -47.619
where: short stacking energy: -24.168
Base-Backbone interact. energy: -0.560
local terms energy: -51.781742
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -1.692
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: 8
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -84.467892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.467892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.467892 (E_RNA)
where:
Base-Base interactions energy: -40.980
where: short stacking energy: -25.036
Base-Backbone interact. energy: -0.511
local terms energy: -42.976641
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -6.984
flat angles P-C4'-P energy: -6.593
tors. eta vs tors. theta energy: -4.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -73.323689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.323689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.323689 (E_RNA)
where:
Base-Base interactions energy: -29.542
where: short stacking energy: -28.431
Base-Backbone interact. energy: -0.684
local terms energy: -43.097377
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -4.715
tors. eta vs tors. theta energy: -3.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -224.560111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.560111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.560111 (E_RNA)
where:
Base-Base interactions energy: -155.100
where: short stacking energy: -68.698
Base-Backbone interact. energy: -0.057
local terms energy: -69.403123
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -15.341
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: 2, replica: 5
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -223.021123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.021123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.021123 (E_RNA)
where:
Base-Base interactions energy: -148.098
where: short stacking energy: -70.272
Base-Backbone interact. energy: -0.410
local terms energy: -74.512694
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -20.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -202.576337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.576337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.576337 (E_RNA)
where:
Base-Base interactions energy: -135.855
where: short stacking energy: -57.720
Base-Backbone interact. energy: -0.014
local terms energy: -66.707185
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -11.437
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -15.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -186.532396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.532396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.532396 (E_RNA)
where:
Base-Base interactions energy: -119.895
where: short stacking energy: -53.410
Base-Backbone interact. energy: -0.149
local terms energy: -66.488510
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -14.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -197.184895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.184895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.184895 (E_RNA)
where:
Base-Base interactions energy: -127.817
where: short stacking energy: -60.083
Base-Backbone interact. energy: -0.242
local terms energy: -69.125285
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -14.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -103.604440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.604440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.604440 (E_RNA)
where:
Base-Base interactions energy: -50.274
where: short stacking energy: -37.691
Base-Backbone interact. energy: -0.186
local terms energy: -53.144998
where:
bonds (distance) C4'-P energy: -9.545
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -5.312
tors. eta vs tors. theta energy: -8.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -88.025432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.025432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.025432 (E_RNA)
where:
Base-Base interactions energy: -38.056
where: short stacking energy: -38.056
Base-Backbone interact. energy: -0.077
local terms energy: -49.892974
where:
bonds (distance) C4'-P energy: -7.951
bonds (distance) P-C4' energy: -13.498
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -6.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -75.797276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.797276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.797276 (E_RNA)
where:
Base-Base interactions energy: -27.771
where: short stacking energy: -27.771
Base-Backbone interact. energy: -0.009
local terms energy: -48.017556
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -2.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -84.632386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.632386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.632386 (E_RNA)
where:
Base-Base interactions energy: -34.246
where: short stacking energy: -34.246
Base-Backbone interact. energy: -0.128
local terms energy: -50.257941
where:
bonds (distance) C4'-P energy: -11.289
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -10.266
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -6.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -76.334330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.334330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.334330 (E_RNA)
where:
Base-Base interactions energy: -24.695
where: short stacking energy: -20.779
Base-Backbone interact. energy: -0.130
local terms energy: -51.509975
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: 1.999
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: 2
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -226.092788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.092788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.092788 (E_RNA)
where:
Base-Base interactions energy: -143.652
where: short stacking energy: -57.338
Base-Backbone interact. energy: -0.759
local terms energy: -81.682339
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -20.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -226.057757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.057757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.057757 (E_RNA)
where:
Base-Base interactions energy: -147.346
where: short stacking energy: -63.902
Base-Backbone interact. energy: -0.105
local terms energy: -78.607188
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -20.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -202.795902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.795902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.795902 (E_RNA)
where:
Base-Base interactions energy: -125.375
where: short stacking energy: -59.567
Base-Backbone interact. energy: -0.088
local terms energy: -77.332652
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -17.739
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -18.466
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: 6
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -209.428227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.428227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.428227 (E_RNA)
where:
Base-Base interactions energy: -132.076
where: short stacking energy: -67.216
Base-Backbone interact. energy: -0.013
local terms energy: -77.339573
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -20.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -187.097538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.097538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.097538 (E_RNA)
where:
Base-Base interactions energy: -117.736
where: short stacking energy: -52.407
Base-Backbone interact. energy: -0.268
local terms energy: -69.093779
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -13.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -109.011860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.011860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.011860 (E_RNA)
where:
Base-Base interactions energy: -50.835
where: short stacking energy: -33.417
Base-Backbone interact. energy: -0.100
local terms energy: -58.077387
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -4.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -108.255194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.255194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.255194 (E_RNA)
where:
Base-Base interactions energy: -46.685
where: short stacking energy: -31.547
Base-Backbone interact. energy: -0.181
local terms energy: -61.389551
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -6.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -81.403759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.403759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.403759 (E_RNA)
where:
Base-Base interactions energy: -30.555
where: short stacking energy: -29.366
Base-Backbone interact. energy: -0.500
local terms energy: -50.349079
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -6.933
tors. eta vs tors. theta energy: -1.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -82.650291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.650291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.650291 (E_RNA)
where:
Base-Base interactions energy: -39.075
where: short stacking energy: -29.429
Base-Backbone interact. energy: -0.496
local terms energy: -43.079598
where:
bonds (distance) C4'-P energy: -5.666
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: 1.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -83.534801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.534801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.534801 (E_RNA)
where:
Base-Base interactions energy: -29.655
where: short stacking energy: -29.655
Base-Backbone interact. energy: -0.006
local terms energy: -53.872912
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -2.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -223.170057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.170057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.170057 (E_RNA)
where:
Base-Base interactions energy: -147.997
where: short stacking energy: -55.596
Base-Backbone interact. energy: -0.008
local terms energy: -75.164896
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -18.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -216.223896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.223896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.223896 (E_RNA)
where:
Base-Base interactions energy: -146.518
where: short stacking energy: -58.330
Base-Backbone interact. energy: 0.442
local terms energy: -70.147677
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -17.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -201.316747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.316747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.316747 (E_RNA)
where:
Base-Base interactions energy: -132.620
where: short stacking energy: -58.027
Base-Backbone interact. energy: -0.282
local terms energy: -68.414574
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -15.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -218.221114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.221114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.221114 (E_RNA)
where:
Base-Base interactions energy: -151.593
where: short stacking energy: -69.239
Base-Backbone interact. energy: -0.079
local terms energy: -66.549400
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -17.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -204.350998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.350998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.350998 (E_RNA)
where:
Base-Base interactions energy: -137.164
where: short stacking energy: -58.014
Base-Backbone interact. energy: -0.110
local terms energy: -67.076046
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -12.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -132.921134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.921134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.921134 (E_RNA)
where:
Base-Base interactions energy: -86.301
where: short stacking energy: -35.594
Base-Backbone interact. energy: -0.573
local terms energy: -46.047152
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -8.762
flat angles P-C4'-P energy: -4.662
tors. eta vs tors. theta energy: -8.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -100.247422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.247422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.247422 (E_RNA)
where:
Base-Base interactions energy: -52.970
where: short stacking energy: -31.268
Base-Backbone interact. energy: -0.182
local terms energy: -47.095953
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -3.457
tors. eta vs tors. theta energy: -3.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -108.624819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.624819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.624819 (E_RNA)
where:
Base-Base interactions energy: -64.690
where: short stacking energy: -24.911
Base-Backbone interact. energy: -0.195
local terms energy: -43.739255
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -10.682
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: 2.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -79.295583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.295583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.295583 (E_RNA)
where:
Base-Base interactions energy: -32.217
where: short stacking energy: -32.660
Base-Backbone interact. energy: -0.037
local terms energy: -47.041820
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -8.173
flat angles P-C4'-P energy: -8.001
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: 10, replica: 1
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -73.878895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.878895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.878895 (E_RNA)
where:
Base-Base interactions energy: -26.622
where: short stacking energy: -23.872
Base-Backbone interact. energy: -0.004
local terms energy: -47.253089
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -2.913
tors. eta vs tors. theta energy: -2.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -222.821644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.821644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.821644 (E_RNA)
where:
Base-Base interactions energy: -151.292
where: short stacking energy: -71.413
Base-Backbone interact. energy: -0.002
local terms energy: -71.527399
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -22.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -219.637656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.637656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.637656 (E_RNA)
where:
Base-Base interactions energy: -138.281
where: short stacking energy: -65.530
Base-Backbone interact. energy: -0.013
local terms energy: -81.344022
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -18.619
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -20.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -219.079481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.079481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.079481 (E_RNA)
where:
Base-Base interactions energy: -149.816
where: short stacking energy: -60.429
Base-Backbone interact. energy: -0.011
local terms energy: -69.252421
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -17.115
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: 4
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -191.125111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.125111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.125111 (E_RNA)
where:
Base-Base interactions energy: -126.553
where: short stacking energy: -60.777
Base-Backbone interact. energy: -0.495
local terms energy: -64.077281
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -14.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -203.686160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.686160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.686160 (E_RNA)
where:
Base-Base interactions energy: -135.131
where: short stacking energy: -59.942
Base-Backbone interact. energy: -0.014
local terms energy: -68.540239
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -17.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -170.208537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.208537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.208537 (E_RNA)
where:
Base-Base interactions energy: -108.291
where: short stacking energy: -42.736
Base-Backbone interact. energy: -0.809
local terms energy: -61.108231
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -13.171
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -10.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -97.421214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.421214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.421214 (E_RNA)
where:
Base-Base interactions energy: -47.927
where: short stacking energy: -34.699
Base-Backbone interact. energy: -0.174
local terms energy: -49.320291
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -1.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -88.485687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.485687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.485687 (E_RNA)
where:
Base-Base interactions energy: -41.996
where: short stacking energy: -26.445
Base-Backbone interact. energy: -0.022
local terms energy: -46.467201
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -13.136
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -3.996
tors. eta vs tors. theta energy: -3.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -81.173584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.173584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.173584 (E_RNA)
where:
Base-Base interactions energy: -32.644
where: short stacking energy: -32.644
Base-Backbone interact. energy: -0.201
local terms energy: -48.329004
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -7.458
tors. eta vs tors. theta energy: -5.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -76.874694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.874694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.874694 (E_RNA)
where:
Base-Base interactions energy: -26.742
where: short stacking energy: -25.816
Base-Backbone interact. energy: 0.752
local terms energy: -50.884275
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -4.956
tors. eta vs tors. theta energy: -6.070
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: 1, replica: 5
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -227.776696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.776696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.776696 (E_RNA)
where:
Base-Base interactions energy: -150.313
where: short stacking energy: -70.093
Base-Backbone interact. energy: -0.002
local terms energy: -77.462548
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -15.708
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -18.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -228.875225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.875225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.875225 (E_RNA)
where:
Base-Base interactions energy: -158.457
where: short stacking energy: -72.075
Base-Backbone interact. energy: -0.004
local terms energy: -70.413678
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -11.020
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -19.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -217.259945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.259945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.259945 (E_RNA)
where:
Base-Base interactions energy: -154.933
where: short stacking energy: -61.719
Base-Backbone interact. energy: -0.078
local terms energy: -62.249073
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -4.094
tors. eta vs tors. theta energy: -18.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -201.990579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.990579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.990579 (E_RNA)
where:
Base-Base interactions energy: -143.055
where: short stacking energy: -62.517
Base-Backbone interact. energy: -0.017
local terms energy: -58.918145
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -11.188
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -5.415
tors. eta vs tors. theta energy: -17.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -178.801753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.801753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.801753 (E_RNA)
where:
Base-Base interactions energy: -125.265
where: short stacking energy: -41.852
Base-Backbone interact. energy: 0.502
local terms energy: -54.038544
where:
bonds (distance) C4'-P energy: -9.384
bonds (distance) P-C4' energy: -11.452
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -9.819
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: 6, replica: 8
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -139.952271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.952271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.952271 (E_RNA)
where:
Base-Base interactions energy: -84.955
where: short stacking energy: -46.743
Base-Backbone interact. energy: 0.095
local terms energy: -55.091890
where:
bonds (distance) C4'-P energy: -10.784
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -9.745
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -11.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -88.681043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.681043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.681043 (E_RNA)
where:
Base-Base interactions energy: -28.881
where: short stacking energy: -28.881
Base-Backbone interact. energy: -0.122
local terms energy: -59.678623
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -81.548411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.548411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.548411 (E_RNA)
where:
Base-Base interactions energy: -28.548
where: short stacking energy: -23.850
Base-Backbone interact. energy: -0.536
local terms energy: -52.464647
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -4.072
tors. eta vs tors. theta energy: -4.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -83.579306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.579306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.579306 (E_RNA)
where:
Base-Base interactions energy: -42.103
where: short stacking energy: -20.173
Base-Backbone interact. energy: -0.861
local terms energy: -40.615560
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -11.411
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -5.556
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: 10, replica: 9
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -76.340593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.340593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.340593 (E_RNA)
where:
Base-Base interactions energy: -28.420
where: short stacking energy: -24.227
Base-Backbone interact. energy: -0.282
local terms energy: -47.638018
where:
bonds (distance) C4'-P energy: -14.059
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -5.759
tors. eta vs tors. theta energy: -2.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -231.183114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.183114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.183114 (E_RNA)
where:
Base-Base interactions energy: -158.793
where: short stacking energy: -67.105
Base-Backbone interact. energy: -0.008
local terms energy: -72.382527
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -17.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -222.014469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.014469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.014469 (E_RNA)
where:
Base-Base interactions energy: -139.052
where: short stacking energy: -75.879
Base-Backbone interact. energy: -0.001
local terms energy: -82.962108
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -18.322
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -19.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -220.309878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.309878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.309878 (E_RNA)
where:
Base-Base interactions energy: -143.872
where: short stacking energy: -61.303
Base-Backbone interact. energy: -0.355
local terms energy: -76.082916
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -22.999
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: 3
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -200.313554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.313554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.313554 (E_RNA)
where:
Base-Base interactions energy: -132.957
where: short stacking energy: -47.702
Base-Backbone interact. energy: -0.920
local terms energy: -66.436225
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -15.667
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: 5, replica: 4
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -194.587676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.587676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.587676 (E_RNA)
where:
Base-Base interactions energy: -130.394
where: short stacking energy: -55.969
Base-Backbone interact. energy: -0.054
local terms energy: -64.140356
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -10.963
flat angles P-C4'-P energy: -5.899
tors. eta vs tors. theta energy: -20.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -141.147326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.147326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.147326 (E_RNA)
where:
Base-Base interactions energy: -79.070
where: short stacking energy: -52.784
Base-Backbone interact. energy: -0.227
local terms energy: -61.850838
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -10.015
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -15.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -82.156294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.156294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.156294 (E_RNA)
where:
Base-Base interactions energy: -32.989
where: short stacking energy: -26.353
Base-Backbone interact. energy: 1.189
local terms energy: -50.356405
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -11.854
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -2.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -95.816294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.816294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.816294 (E_RNA)
where:
Base-Base interactions energy: -48.300
where: short stacking energy: -34.493
Base-Backbone interact. energy: -0.363
local terms energy: -47.153480
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -9.548
flat angles C4'-P-C4' energy: -9.630
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -4.388
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: 168
Temperature: 1.300000
Total energy: -83.050643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.050643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.050643 (E_RNA)
where:
Base-Base interactions energy: -38.199
where: short stacking energy: -22.593
Base-Backbone interact. energy: -0.205
local terms energy: -44.646099
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -10.251
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: 2.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -79.027098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.027098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.027098 (E_RNA)
where:
Base-Base interactions energy: -36.810
where: short stacking energy: -24.137
Base-Backbone interact. energy: -0.108
local terms energy: -42.109460
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -9.533
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: 4.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -229.173670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.173670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.173670 (E_RNA)
where:
Base-Base interactions energy: -156.684
where: short stacking energy: -65.255
Base-Backbone interact. energy: 0.207
local terms energy: -72.695870
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -16.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -216.405163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.405163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.405163 (E_RNA)
where:
Base-Base interactions energy: -140.537
where: short stacking energy: -65.621
Base-Backbone interact. energy: -0.001
local terms energy: -75.867860
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -21.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -212.732771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.732771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.732771 (E_RNA)
where:
Base-Base interactions energy: -144.450
where: short stacking energy: -65.105
Base-Backbone interact. energy: -0.209
local terms energy: -68.073763
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -6.684
tors. eta vs tors. theta energy: -19.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -215.754326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.754326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.754326 (E_RNA)
where:
Base-Base interactions energy: -147.126
where: short stacking energy: -65.708
Base-Backbone interact. energy: 0.655
local terms energy: -69.283258
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -15.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -191.631763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.631763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.631763 (E_RNA)
where:
Base-Base interactions energy: -125.261
where: short stacking energy: -50.150
Base-Backbone interact. energy: -0.156
local terms energy: -66.215477
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -14.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -124.233168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.233168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.233168 (E_RNA)
where:
Base-Base interactions energy: -72.606
where: short stacking energy: -37.143
Base-Backbone interact. energy: -0.014
local terms energy: -51.612790
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -8.665
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -4.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -81.928374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.928374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.928374 (E_RNA)
where:
Base-Base interactions energy: -35.235
where: short stacking energy: -19.064
Base-Backbone interact. energy: 0.584
local terms energy: -47.277262
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -10.006
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: 2.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -97.119716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.119716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.119716 (E_RNA)
where:
Base-Base interactions energy: -44.654
where: short stacking energy: -26.970
Base-Backbone interact. energy: -0.125
local terms energy: -52.340936
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -2.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -91.798323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.798323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.798323 (E_RNA)
where:
Base-Base interactions energy: -35.907
where: short stacking energy: -30.398
Base-Backbone interact. energy: -0.238
local terms energy: -55.654147
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -12.231
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: 10, replica: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -72.633743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.633743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.633743 (E_RNA)
where:
Base-Base interactions energy: -31.674
where: short stacking energy: -28.861
Base-Backbone interact. energy: -0.065
local terms energy: -40.894034
where:
bonds (distance) C4'-P energy: -8.481
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -8.783
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -1.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -231.319549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.319549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.319549 (E_RNA)
where:
Base-Base interactions energy: -155.891
where: short stacking energy: -64.927
Base-Backbone interact. energy: -0.223
local terms energy: -75.205354
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -17.478
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: 6
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -219.737309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.737309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.737309 (E_RNA)
where:
Base-Base interactions energy: -138.715
where: short stacking energy: -61.450
Base-Backbone interact. energy: -0.002
local terms energy: -81.019605
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -19.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -220.430950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.430950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.430950 (E_RNA)
where:
Base-Base interactions energy: -149.697
where: short stacking energy: -55.346
Base-Backbone interact. energy: -0.015
local terms energy: -70.719424
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -19.277
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: 4, replica: 5
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -201.776953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.776953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.776953 (E_RNA)
where:
Base-Base interactions energy: -134.234
where: short stacking energy: -59.631
Base-Backbone interact. energy: 1.385
local terms energy: -68.928216
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -12.873
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -16.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -130.749419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.749419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.749419 (E_RNA)
where:
Base-Base interactions energy: -69.374
where: short stacking energy: -41.828
Base-Backbone interact. energy: 0.681
local terms energy: -62.056300
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -8.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -168.338119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.338119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.338119 (E_RNA)
where:
Base-Base interactions energy: -109.847
where: short stacking energy: -55.366
Base-Backbone interact. energy: 1.012
local terms energy: -59.503868
where:
bonds (distance) C4'-P energy: -8.278
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -14.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -98.912508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.912508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.912508 (E_RNA)
where:
Base-Base interactions energy: -47.448
where: short stacking energy: -42.746
Base-Backbone interact. energy: -0.246
local terms energy: -51.218197
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -7.819
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -7.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -111.448883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.448883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.448883 (E_RNA)
where:
Base-Base interactions energy: -65.150
where: short stacking energy: -24.263
Base-Backbone interact. energy: -1.114
local terms energy: -45.185283
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -9.563
flat angles P-C4'-P energy: -4.777
tors. eta vs tors. theta energy: -3.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -73.368155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.368155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.368155 (E_RNA)
where:
Base-Base interactions energy: -17.901
where: short stacking energy: -17.316
Base-Backbone interact. energy: -0.100
local terms energy: -55.367435
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: 0.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -86.725951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.725951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.725951 (E_RNA)
where:
Base-Base interactions energy: -28.824
where: short stacking energy: -28.824
Base-Backbone interact. energy: -0.001
local terms energy: -57.900700
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -9.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -222.530156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.530156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.530156 (E_RNA)
where:
Base-Base interactions energy: -148.387
where: short stacking energy: -66.304
Base-Backbone interact. energy: -0.002
local terms energy: -74.141856
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -10.603
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -20.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -225.788004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.788004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.788004 (E_RNA)
where:
Base-Base interactions energy: -153.901
where: short stacking energy: -68.970
Base-Backbone interact. energy: -0.063
local terms energy: -71.823541
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -20.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -215.699101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.699101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.699101 (E_RNA)
where:
Base-Base interactions energy: -136.685
where: short stacking energy: -66.887
Base-Backbone interact. energy: 0.770
local terms energy: -79.784415
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -18.146
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -19.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -210.304970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.304970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.304970 (E_RNA)
where:
Base-Base interactions energy: -138.257
where: short stacking energy: -66.937
Base-Backbone interact. energy: -0.099
local terms energy: -71.948787
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -18.982
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: 8
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -144.858645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.858645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.858645 (E_RNA)
where:
Base-Base interactions energy: -84.001
where: short stacking energy: -43.507
Base-Backbone interact. energy: -0.009
local terms energy: -60.848358
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -12.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -192.906077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.906077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.906077 (E_RNA)
where:
Base-Base interactions energy: -123.652
where: short stacking energy: -61.293
Base-Backbone interact. energy: -0.250
local terms energy: -69.004335
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -18.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -99.147120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.147120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.147120 (E_RNA)
where:
Base-Base interactions energy: -42.698
where: short stacking energy: -29.439
Base-Backbone interact. energy: -0.064
local terms energy: -56.384895
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -10.918
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -7.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -86.957973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.957973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.957973 (E_RNA)
where:
Base-Base interactions energy: -34.038
where: short stacking energy: -34.038
Base-Backbone interact. energy: -0.247
local terms energy: -52.672881
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -2.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -81.487819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.487819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.487819 (E_RNA)
where:
Base-Base interactions energy: -33.484
where: short stacking energy: -19.465
Base-Backbone interact. energy: -0.068
local terms energy: -47.936547
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -0.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -74.714325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.714325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.714325 (E_RNA)
where:
Base-Base interactions energy: -26.948
where: short stacking energy: -16.349
Base-Backbone interact. energy: -0.148
local terms energy: -47.618300
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -9.036
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: 0.463
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: 1, replica: 4
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -221.184284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.184284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.184284 (E_RNA)
where:
Base-Base interactions energy: -148.127
where: short stacking energy: -65.637
Base-Backbone interact. energy: -0.083
local terms energy: -72.974916
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -5.726
tors. eta vs tors. theta energy: -21.753
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: 2, replica: 2
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -218.884046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.884046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.884046 (E_RNA)
where:
Base-Base interactions energy: -145.251
where: short stacking energy: -69.814
Base-Backbone interact. energy: -0.002
local terms energy: -73.630910
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -6.552
tors. eta vs tors. theta energy: -22.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -213.781958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.781958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.781958 (E_RNA)
where:
Base-Base interactions energy: -142.384
where: short stacking energy: -68.004
Base-Backbone interact. energy: -0.010
local terms energy: -71.388061
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -21.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -213.288480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.288480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.288480 (E_RNA)
where:
Base-Base interactions energy: -146.077
where: short stacking energy: -60.321
Base-Backbone interact. energy: 0.188
local terms energy: -67.398865
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -19.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -181.139288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.139288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.139288 (E_RNA)
where:
Base-Base interactions energy: -106.782
where: short stacking energy: -48.546
Base-Backbone interact. energy: -0.059
local terms energy: -74.298719
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -16.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -136.743450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.743450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.743450 (E_RNA)
where:
Base-Base interactions energy: -84.045
where: short stacking energy: -31.600
Base-Backbone interact. energy: -0.257
local terms energy: -52.441309
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -13.252
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -3.120
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: 7
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -93.869306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.869306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.869306 (E_RNA)
where:
Base-Base interactions energy: -41.588
where: short stacking energy: -41.353
Base-Backbone interact. energy: -0.081
local terms energy: -52.200259
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -2.661
tors. eta vs tors. theta energy: -8.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -95.529047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.529047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.529047 (E_RNA)
where:
Base-Base interactions energy: -47.657
where: short stacking energy: -22.915
Base-Backbone interact. energy: -0.136
local terms energy: -47.736072
where:
bonds (distance) C4'-P energy: -9.114
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -8.734
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -2.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -72.611366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.611366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.611366 (E_RNA)
where:
Base-Base interactions energy: -20.028
where: short stacking energy: -16.402
Base-Backbone interact. energy: 0.048
local terms energy: -52.631664
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -0.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -81.094375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.094375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.094375 (E_RNA)
where:
Base-Base interactions energy: -29.933
where: short stacking energy: -29.240
Base-Backbone interact. energy: -0.030
local terms energy: -51.131284
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -1.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -225.002153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.002153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.002153 (E_RNA)
where:
Base-Base interactions energy: -145.956
where: short stacking energy: -66.338
Base-Backbone interact. energy: -0.001
local terms energy: -79.045055
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -22.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -220.088064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.088064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.088064 (E_RNA)
where:
Base-Base interactions energy: -147.023
where: short stacking energy: -65.871
Base-Backbone interact. energy: -0.167
local terms energy: -72.897418
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -18.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -200.484006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.484006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.484006 (E_RNA)
where:
Base-Base interactions energy: -132.674
where: short stacking energy: -56.928
Base-Backbone interact. energy: -0.211
local terms energy: -67.599030
where:
bonds (distance) C4'-P energy: -8.756
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -16.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -225.700047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.700047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.700047 (E_RNA)
where:
Base-Base interactions energy: -151.930
where: short stacking energy: -60.933
Base-Backbone interact. energy: -0.179
local terms energy: -73.591363
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -17.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -198.551720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.551720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.551720 (E_RNA)
where:
Base-Base interactions energy: -126.202
where: short stacking energy: -60.645
Base-Backbone interact. energy: -0.067
local terms energy: -72.282900
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -8.866
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -94.472693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.472693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.472693 (E_RNA)
where:
Base-Base interactions energy: -36.862
where: short stacking energy: -31.259
Base-Backbone interact. energy: -0.105
local terms energy: -57.506354
where:
bonds (distance) C4'-P energy: -14.870
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -4.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -116.267023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.267023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.267023 (E_RNA)
where:
Base-Base interactions energy: -61.661
where: short stacking energy: -36.294
Base-Backbone interact. energy: -0.002
local terms energy: -54.604454
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: -5.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -93.577530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.577530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.577530 (E_RNA)
where:
Base-Base interactions energy: -38.131
where: short stacking energy: -30.864
Base-Backbone interact. energy: -0.044
local terms energy: -55.402316
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -9.522
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: 9, replica: 10
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -91.674352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.674352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.674352 (E_RNA)
where:
Base-Base interactions energy: -36.194
where: short stacking energy: -31.219
Base-Backbone interact. energy: 0.642
local terms energy: -56.122574
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -11.077
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -6.857
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: 1
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -81.528422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.528422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.528422 (E_RNA)
where:
Base-Base interactions energy: -38.599
where: short stacking energy: -38.279
Base-Backbone interact. energy: -0.467
local terms energy: -42.462299
where:
bonds (distance) C4'-P energy: -8.794
bonds (distance) P-C4' energy: -8.219
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -7.138
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: 5
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -223.144899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.144899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.144899 (E_RNA)
where:
Base-Base interactions energy: -148.381
where: short stacking energy: -66.887
Base-Backbone interact. energy: -0.091
local terms energy: -74.672716
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -20.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -218.494347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.494347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.494347 (E_RNA)
where:
Base-Base interactions energy: -144.321
where: short stacking energy: -69.085
Base-Backbone interact. energy: -0.001
local terms energy: -74.171842
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -22.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -220.158249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.158249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.158249 (E_RNA)
where:
Base-Base interactions energy: -140.501
where: short stacking energy: -64.470
Base-Backbone interact. energy: -0.063
local terms energy: -79.594438
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -23.255
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: 4, replica: 2
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -190.080532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.080532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.080532 (E_RNA)
where:
Base-Base interactions energy: -121.004
where: short stacking energy: -55.259
Base-Backbone interact. energy: -0.026
local terms energy: -69.049785
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -10.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -188.426957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.426957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.426957 (E_RNA)
where:
Base-Base interactions energy: -118.967
where: short stacking energy: -61.368
Base-Backbone interact. energy: -0.130
local terms energy: -69.329636
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -16.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -92.710800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.710800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.710800 (E_RNA)
where:
Base-Base interactions energy: -33.534
where: short stacking energy: -29.486
Base-Backbone interact. energy: -0.113
local terms energy: -59.063984
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -6.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -87.094689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.094689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.094689 (E_RNA)
where:
Base-Base interactions energy: -38.320
where: short stacking energy: -29.033
Base-Backbone interact. energy: -1.112
local terms energy: -47.662348
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -10.865
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -84.019509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.019509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.019509 (E_RNA)
where:
Base-Base interactions energy: -34.542
where: short stacking energy: -28.780
Base-Backbone interact. energy: -0.682
local terms energy: -48.795746
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -8.834
flat angles C4'-P-C4' energy: -9.131
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -9.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -88.567516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.567516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.567516 (E_RNA)
where:
Base-Base interactions energy: -37.908
where: short stacking energy: -26.478
Base-Backbone interact. energy: -0.018
local terms energy: -50.640697
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -9.946
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -7.416
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: 10, replica: 10
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -80.389152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.389152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.389152 (E_RNA)
where:
Base-Base interactions energy: -28.465
where: short stacking energy: -28.465
Base-Backbone interact. energy: -0.147
local terms energy: -51.777089
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -1.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -220.085217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.085217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.085217 (E_RNA)
where:
Base-Base interactions energy: -147.265
where: short stacking energy: -65.908
Base-Backbone interact. energy: -0.326
local terms energy: -72.495016
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -11.699
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -19.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -219.820809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.820809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.820809 (E_RNA)
where:
Base-Base interactions energy: -141.642
where: short stacking energy: -61.228
Base-Backbone interact. energy: -0.003
local terms energy: -78.175277
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -20.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -217.808982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.808982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.808982 (E_RNA)
where:
Base-Base interactions energy: -140.036
where: short stacking energy: -65.172
Base-Backbone interact. energy: -0.006
local terms energy: -77.766729
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -15.098
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -18.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -214.093541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.093541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.093541 (E_RNA)
where:
Base-Base interactions energy: -141.153
where: short stacking energy: -63.204
Base-Backbone interact. energy: -0.192
local terms energy: -72.749202
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -20.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -181.015369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.015369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.015369 (E_RNA)
where:
Base-Base interactions energy: -113.457
where: short stacking energy: -53.042
Base-Backbone interact. energy: -0.053
local terms energy: -67.505290
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -13.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -94.876698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.876698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.876698 (E_RNA)
where:
Base-Base interactions energy: -40.018
where: short stacking energy: -32.055
Base-Backbone interact. energy: -0.232
local terms energy: -54.627277
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -6.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -91.370373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.370373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.370373 (E_RNA)
where:
Base-Base interactions energy: -42.954
where: short stacking energy: -39.024
Base-Backbone interact. energy: 0.162
local terms energy: -48.579248
where:
bonds (distance) C4'-P energy: -5.124
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -3.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -92.007552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.007552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.007552 (E_RNA)
where:
Base-Base interactions energy: -34.769
where: short stacking energy: -28.392
Base-Backbone interact. energy: -0.223
local terms energy: -57.015382
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -9.367
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -4.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -75.872417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.872417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.872417 (E_RNA)
where:
Base-Base interactions energy: -31.710
where: short stacking energy: -18.179
Base-Backbone interact. energy: -0.244
local terms energy: -43.918191
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -3.932
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -0.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -85.028388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.028388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.028388 (E_RNA)
where:
Base-Base interactions energy: -38.583
where: short stacking energy: -19.879
Base-Backbone interact. energy: 0.576
local terms energy: -47.022153
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -4.433
tors. eta vs tors. theta energy: 0.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -228.274646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.274646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.274646 (E_RNA)
where:
Base-Base interactions energy: -156.254
where: short stacking energy: -68.297
Base-Backbone interact. energy: -0.009
local terms energy: -72.011790
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -16.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -218.745589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.745589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.745589 (E_RNA)
where:
Base-Base interactions energy: -142.001
where: short stacking energy: -69.443
Base-Backbone interact. energy: -0.018
local terms energy: -76.726596
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -19.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -214.338542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.338542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.338542 (E_RNA)
where:
Base-Base interactions energy: -143.888
where: short stacking energy: -53.305
Base-Backbone interact. energy: -0.022
local terms energy: -70.428613
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -16.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -215.262312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.262312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.262312 (E_RNA)
where:
Base-Base interactions energy: -142.851
where: short stacking energy: -67.540
Base-Backbone interact. energy: -0.319
local terms energy: -72.092128
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -20.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -196.972814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.972814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.972814 (E_RNA)
where:
Base-Base interactions energy: -134.334
where: short stacking energy: -52.525
Base-Backbone interact. energy: -0.154
local terms energy: -62.485242
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -7.687
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -15.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -92.809141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.809141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.809141 (E_RNA)
where:
Base-Base interactions energy: -38.836
where: short stacking energy: -37.735
Base-Backbone interact. energy: -0.126
local terms energy: -53.847339
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -3.356
tors. eta vs tors. theta energy: -5.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -94.455083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.455083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.455083 (E_RNA)
where:
Base-Base interactions energy: -39.242
where: short stacking energy: -32.187
Base-Backbone interact. energy: 0.268
local terms energy: -55.480181
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -4.659
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: 8, replica: 1
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -95.333034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.333034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.333034 (E_RNA)
where:
Base-Base interactions energy: -50.086
where: short stacking energy: -26.652
Base-Backbone interact. energy: -0.240
local terms energy: -45.007167
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -13.621
flat angles C4'-P-C4' energy: -6.606
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -1.190
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: 10
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -68.662626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.662626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.662626 (E_RNA)
where:
Base-Base interactions energy: -22.233
where: short stacking energy: -18.767
Base-Backbone interact. energy: 1.662
local terms energy: -48.091358
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -0.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -77.516263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.516263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.516263 (E_RNA)
where:
Base-Base interactions energy: -33.667
where: short stacking energy: -32.566
Base-Backbone interact. energy: -0.279
local terms energy: -43.569721
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -11.388
flat angles C4'-P-C4' energy: -8.941
flat angles P-C4'-P energy: -3.047
tors. eta vs tors. theta energy: -4.232
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: 1, replica: 6
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -222.921305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.921305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.921305 (E_RNA)
where:
Base-Base interactions energy: -156.133
where: short stacking energy: -61.437
Base-Backbone interact. energy: -0.169
local terms energy: -66.618863
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -13.431
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -16.074
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: 2, replica: 4
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -209.445784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.445784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.445784 (E_RNA)
where:
Base-Base interactions energy: -141.633
where: short stacking energy: -62.231
Base-Backbone interact. energy: -0.143
local terms energy: -67.670509
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -15.973
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: 5
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -209.791668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.791668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.791668 (E_RNA)
where:
Base-Base interactions energy: -144.996
where: short stacking energy: -62.301
Base-Backbone interact. energy: -0.022
local terms energy: -64.774143
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: -14.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -202.091390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.091390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.091390 (E_RNA)
where:
Base-Base interactions energy: -135.039
where: short stacking energy: -61.278
Base-Backbone interact. energy: -0.096
local terms energy: -66.956047
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -17.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -191.847201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.847201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.847201 (E_RNA)
where:
Base-Base interactions energy: -119.941
where: short stacking energy: -59.157
Base-Backbone interact. energy: -0.004
local terms energy: -71.903096
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -11.667
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -17.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -103.486550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.486550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.486550 (E_RNA)
where:
Base-Base interactions energy: -52.146
where: short stacking energy: -40.723
Base-Backbone interact. energy: -0.713
local terms energy: -50.628145
where:
bonds (distance) C4'-P energy: -8.800
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -10.183
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: 7, replica: 8
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -101.393603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.393603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.393603 (E_RNA)
where:
Base-Base interactions energy: -47.871
where: short stacking energy: -36.704
Base-Backbone interact. energy: -0.149
local terms energy: -53.374148
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -2.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -90.772550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.772550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.772550 (E_RNA)
where:
Base-Base interactions energy: -35.428
where: short stacking energy: -27.521
Base-Backbone interact. energy: -0.175
local terms energy: -55.169696
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -9.771
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -1.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -94.562332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.562332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.562332 (E_RNA)
where:
Base-Base interactions energy: -45.791
where: short stacking energy: -33.208
Base-Backbone interact. energy: -0.109
local terms energy: -48.662313
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -4.224
tors. eta vs tors. theta energy: -2.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -76.424662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.424662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.424662 (E_RNA)
where:
Base-Base interactions energy: -26.720
where: short stacking energy: -22.028
Base-Backbone interact. energy: -0.960
local terms energy: -48.744904
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: 2.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -219.670873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.670873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.670873 (E_RNA)
where:
Base-Base interactions energy: -141.390
where: short stacking energy: -63.272
Base-Backbone interact. energy: -0.010
local terms energy: -78.270294
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -19.131
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -19.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -226.795437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.795437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.795437 (E_RNA)
where:
Base-Base interactions energy: -158.013
where: short stacking energy: -67.803
Base-Backbone interact. energy: -0.006
local terms energy: -68.775717
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -19.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -206.355340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.355340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.355340 (E_RNA)
where:
Base-Base interactions energy: -135.598
where: short stacking energy: -60.736
Base-Backbone interact. energy: 0.998
local terms energy: -71.755538
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -19.178
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: 2
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -189.068736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.068736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.068736 (E_RNA)
where:
Base-Base interactions energy: -116.642
where: short stacking energy: -58.862
Base-Backbone interact. energy: -0.129
local terms energy: -72.298319
where:
bonds (distance) C4'-P energy: -7.732
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -16.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -209.701676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.701676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.701676 (E_RNA)
where:
Base-Base interactions energy: -139.185
where: short stacking energy: -65.461
Base-Backbone interact. energy: -0.083
local terms energy: -70.433497
where:
bonds (distance) C4'-P energy: -8.245
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -20.598
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: 178
Temperature: 1.150000
Total energy: -82.344942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.344942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.344942 (E_RNA)
where:
Base-Base interactions energy: -35.794
where: short stacking energy: -26.479
Base-Backbone interact. energy: -1.361
local terms energy: -45.190369
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: 0.240
tors. eta vs tors. theta energy: 0.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -96.462291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.462291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.462291 (E_RNA)
where:
Base-Base interactions energy: -40.577
where: short stacking energy: -25.350
Base-Backbone interact. energy: -0.369
local terms energy: -55.516079
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -9.841
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -8.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -78.765668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.765668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.765668 (E_RNA)
where:
Base-Base interactions energy: -33.856
where: short stacking energy: -32.702
Base-Backbone interact. energy: -0.259
local terms energy: -44.650640
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -9.925
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -11.330
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: 9, replica: 9
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -93.206087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.206087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.206087 (E_RNA)
where:
Base-Base interactions energy: -47.926
where: short stacking energy: -29.761
Base-Backbone interact. energy: 0.489
local terms energy: -45.769664
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -9.437
flat angles C4'-P-C4' energy: -11.325
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -4.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -70.727812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.727812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.727812 (E_RNA)
where:
Base-Base interactions energy: -30.423
where: short stacking energy: -18.127
Base-Backbone interact. energy: -0.063
local terms energy: -40.241571
where:
bonds (distance) C4'-P energy: -8.074
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -9.642
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: 2.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -219.036700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.036700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.036700 (E_RNA)
where:
Base-Base interactions energy: -142.292
where: short stacking energy: -66.347
Base-Backbone interact. energy: -0.005
local terms energy: -76.739771
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -20.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -219.825660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.825660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.825660 (E_RNA)
where:
Base-Base interactions energy: -147.307
where: short stacking energy: -63.406
Base-Backbone interact. energy: -0.050
local terms energy: -72.468473
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -18.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -215.782266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.782266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.782266 (E_RNA)
where:
Base-Base interactions energy: -139.046
where: short stacking energy: -56.333
Base-Backbone interact. energy: -0.032
local terms energy: -76.704900
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -17.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -214.173500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.173500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.173500 (E_RNA)
where:
Base-Base interactions energy: -145.034
where: short stacking energy: -63.646
Base-Backbone interact. energy: 0.935
local terms energy: -70.074781
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -19.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -193.181961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.181961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.181961 (E_RNA)
where:
Base-Base interactions energy: -129.212
where: short stacking energy: -60.554
Base-Backbone interact. energy: -0.515
local terms energy: -63.455015
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -12.118
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -10.653
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: 179
Temperature: 1.150000
Total energy: -101.792122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.792122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.792122 (E_RNA)
where:
Base-Base interactions energy: -39.645
where: short stacking energy: -39.645
Base-Backbone interact. energy: -0.019
local terms energy: -62.127445
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -10.559
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: 7
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -94.031296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.031296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.031296 (E_RNA)
where:
Base-Base interactions energy: -41.933
where: short stacking energy: -26.160
Base-Backbone interact. energy: -0.329
local terms energy: -51.769490
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -3.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -80.038246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.038246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.038246 (E_RNA)
where:
Base-Base interactions energy: -25.245
where: short stacking energy: -24.448
Base-Backbone interact. energy: -0.005
local terms energy: -54.787435
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -5.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -79.944589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.944589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.944589 (E_RNA)
where:
Base-Base interactions energy: -31.727
where: short stacking energy: -27.232
Base-Backbone interact. energy: 0.831
local terms energy: -49.048843
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -9.759
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -4.970
tors. eta vs tors. theta energy: -7.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -76.331479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.331479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.331479 (E_RNA)
where:
Base-Base interactions energy: -23.552
where: short stacking energy: -16.934
Base-Backbone interact. energy: 0.072
local terms energy: -52.851739
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -8.948
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -5.687
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: 1, replica: 5
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -219.934400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.934400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.934400 (E_RNA)
where:
Base-Base interactions energy: -146.159
where: short stacking energy: -63.932
Base-Backbone interact. energy: -0.001
local terms energy: -73.774383
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -20.031
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: 4
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -219.157272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.157272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.157272 (E_RNA)
where:
Base-Base interactions energy: -146.922
where: short stacking energy: -70.439
Base-Backbone interact. energy: -0.285
local terms energy: -71.950602
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -19.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -200.976961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.976961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.976961 (E_RNA)
where:
Base-Base interactions energy: -126.963
where: short stacking energy: -67.310
Base-Backbone interact. energy: -0.628
local terms energy: -73.386184
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -16.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -204.185059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.185059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.185059 (E_RNA)
where:
Base-Base interactions energy: -135.281
where: short stacking energy: -56.013
Base-Backbone interact. energy: -0.335
local terms energy: -68.569416
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -9.341
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -18.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -193.681580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.681580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.681580 (E_RNA)
where:
Base-Base interactions energy: -126.603
where: short stacking energy: -52.499
Base-Backbone interact. energy: -0.063
local terms energy: -67.015986
where:
bonds (distance) C4'-P energy: -9.520
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -96.366297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.366297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.366297 (E_RNA)
where:
Base-Base interactions energy: -40.643
where: short stacking energy: -32.712
Base-Backbone interact. energy: -0.084
local terms energy: -55.638596
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -11.326
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -6.213
tors. eta vs tors. theta energy: -6.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -92.845138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.845138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.845138 (E_RNA)
where:
Base-Base interactions energy: -39.631
where: short stacking energy: -39.631
Base-Backbone interact. energy: -0.173
local terms energy: -53.040927
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -3.686
tors. eta vs tors. theta energy: -8.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -93.260328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.260328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.260328 (E_RNA)
where:
Base-Base interactions energy: -43.744
where: short stacking energy: -34.280
Base-Backbone interact. energy: -0.230
local terms energy: -49.285979
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -11.664
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -6.831
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: 8
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -76.946465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.946465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.946465 (E_RNA)
where:
Base-Base interactions energy: -27.135
where: short stacking energy: -25.666
Base-Backbone interact. energy: -0.060
local terms energy: -49.750595
where:
bonds (distance) C4'-P energy: -8.070
bonds (distance) P-C4' energy: -11.640
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -7.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -82.104753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.104753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.104753 (E_RNA)
where:
Base-Base interactions energy: -42.346
where: short stacking energy: -24.771
Base-Backbone interact. energy: -0.147
local terms energy: -39.612027
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: 3.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -221.412027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.412027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.412027 (E_RNA)
where:
Base-Base interactions energy: -147.098
where: short stacking energy: -67.361
Base-Backbone interact. energy: -0.015
local terms energy: -74.299421
where:
bonds (distance) C4'-P energy: -11.481
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -17.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -211.770930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.770930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.770930 (E_RNA)
where:
Base-Base interactions energy: -142.931
where: short stacking energy: -55.016
Base-Backbone interact. energy: -0.245
local terms energy: -68.594779
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -17.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -216.214267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.214267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.214267 (E_RNA)
where:
Base-Base interactions energy: -146.376
where: short stacking energy: -69.445
Base-Backbone interact. energy: -0.015
local terms energy: -69.823251
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -18.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -191.318403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.318403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.318403 (E_RNA)
where:
Base-Base interactions energy: -126.638
where: short stacking energy: -54.202
Base-Backbone interact. energy: -0.117
local terms energy: -64.563574
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -15.089
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: 181
Temperature: 1.100000
Total energy: -189.061388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.061388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.061388 (E_RNA)
where:
Base-Base interactions energy: -119.947
where: short stacking energy: -59.043
Base-Backbone interact. energy: -0.809
local terms energy: -68.305656
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -3.033
tors. eta vs tors. theta energy: -17.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -90.031969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.031969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.031969 (E_RNA)
where:
Base-Base interactions energy: -43.742
where: short stacking energy: -37.660
Base-Backbone interact. energy: -0.099
local terms energy: -46.191607
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -5.884
tors. eta vs tors. theta energy: -1.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -96.179227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.179227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.179227 (E_RNA)
where:
Base-Base interactions energy: -42.424
where: short stacking energy: -27.723
Base-Backbone interact. energy: -0.152
local terms energy: -53.602634
where:
bonds (distance) C4'-P energy: -9.961
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -1.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -84.254924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.254924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.254924 (E_RNA)
where:
Base-Base interactions energy: -30.887
where: short stacking energy: -26.158
Base-Backbone interact. energy: -0.048
local terms energy: -53.319676
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -2.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -91.051161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.051161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.051161 (E_RNA)
where:
Base-Base interactions energy: -38.407
where: short stacking energy: -38.407
Base-Backbone interact. energy: -0.175
local terms energy: -52.469858
where:
bonds (distance) C4'-P energy: -8.758
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -7.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -85.114513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.114513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.114513 (E_RNA)
where:
Base-Base interactions energy: -43.257
where: short stacking energy: -21.927
Base-Backbone interact. energy: 3.579
local terms energy: -45.436686
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: 3.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -222.729107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.729107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.729107 (E_RNA)
where:
Base-Base interactions energy: -143.692
where: short stacking energy: -65.732
Base-Backbone interact. energy: 0.347
local terms energy: -79.384760
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -21.029
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: 5
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -212.897168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.897168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.897168 (E_RNA)
where:
Base-Base interactions energy: -137.096
where: short stacking energy: -66.225
Base-Backbone interact. energy: -0.003
local terms energy: -75.798409
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -18.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -213.421731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.421731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.421731 (E_RNA)
where:
Base-Base interactions energy: -144.647
where: short stacking energy: -68.269
Base-Backbone interact. energy: -0.018
local terms energy: -68.756646
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -16.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -213.336143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.336143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.336143 (E_RNA)
where:
Base-Base interactions energy: -136.965
where: short stacking energy: -68.487
Base-Backbone interact. energy: -0.008
local terms energy: -76.363065
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -21.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -203.244663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.244663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.244663 (E_RNA)
where:
Base-Base interactions energy: -140.113
where: short stacking energy: -59.845
Base-Backbone interact. energy: 0.110
local terms energy: -63.241343
where:
bonds (distance) C4'-P energy: -7.947
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -11.303
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -96.869987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.869987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.869987 (E_RNA)
where:
Base-Base interactions energy: -41.966
where: short stacking energy: -36.569
Base-Backbone interact. energy: -0.006
local terms energy: -54.897649
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -2.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -105.569418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.569418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.569418 (E_RNA)
where:
Base-Base interactions energy: -55.020
where: short stacking energy: -15.156
Base-Backbone interact. energy: -0.676
local terms energy: -49.873809
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -7.616
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -6.325
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: 8, replica: 10
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -85.640119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.640119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.640119 (E_RNA)
where:
Base-Base interactions energy: -35.264
where: short stacking energy: -27.380
Base-Backbone interact. energy: -0.152
local terms energy: -50.223965
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -5.426
tors. eta vs tors. theta energy: -1.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -89.252468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.252468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.252468 (E_RNA)
where:
Base-Base interactions energy: -35.762
where: short stacking energy: -25.279
Base-Backbone interact. energy: 0.304
local terms energy: -53.794382
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -10.222
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -6.205
tors. eta vs tors. theta energy: -8.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -70.779310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.779310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.779310 (E_RNA)
where:
Base-Base interactions energy: -27.509
where: short stacking energy: -17.792
Base-Backbone interact. energy: 0.467
local terms energy: -43.737532
where:
bonds (distance) C4'-P energy: -12.896
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -3.137
tors. eta vs tors. theta energy: -0.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -223.153273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.153273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.153273 (E_RNA)
where:
Base-Base interactions energy: -147.057
where: short stacking energy: -60.686
Base-Backbone interact. energy: -0.011
local terms energy: -76.085358
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -18.981
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: 2
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -212.207942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.207942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.207942 (E_RNA)
where:
Base-Base interactions energy: -143.616
where: short stacking energy: -64.343
Base-Backbone interact. energy: -0.046
local terms energy: -68.546588
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -11.983
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -14.002
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: 5
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -218.865989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.865989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.865989 (E_RNA)
where:
Base-Base interactions energy: -145.760
where: short stacking energy: -69.485
Base-Backbone interact. energy: -0.003
local terms energy: -73.103306
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -17.512
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -16.888
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: 183
Temperature: 1.050000
Total energy: -212.627545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.627545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.627545 (E_RNA)
where:
Base-Base interactions energy: -141.007
where: short stacking energy: -64.946
Base-Backbone interact. energy: -0.478
local terms energy: -71.142153
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -14.158
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -19.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -200.855548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.855548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.855548 (E_RNA)
where:
Base-Base interactions energy: -136.042
where: short stacking energy: -57.939
Base-Backbone interact. energy: 0.309
local terms energy: -65.122585
where:
bonds (distance) C4'-P energy: -9.371
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -16.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -94.974302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.974302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.974302 (E_RNA)
where:
Base-Base interactions energy: -45.304
where: short stacking energy: -30.740
Base-Backbone interact. energy: -0.018
local terms energy: -49.652758
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -4.996
tors. eta vs tors. theta energy: -8.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -95.063724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.063724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.063724 (E_RNA)
where:
Base-Base interactions energy: -36.841
where: short stacking energy: -31.750
Base-Backbone interact. energy: -0.704
local terms energy: -57.518602
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -9.909
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: 8, replica: 1
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -89.925251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.925251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.925251 (E_RNA)
where:
Base-Base interactions energy: -44.190
where: short stacking energy: -34.758
Base-Backbone interact. energy: -0.107
local terms energy: -45.627975
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -5.363
tors. eta vs tors. theta energy: -0.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -98.739354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.739354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.739354 (E_RNA)
where:
Base-Base interactions energy: -40.779
where: short stacking energy: -30.206
Base-Backbone interact. energy: -0.314
local terms energy: -57.646000
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -9.165
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -9.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -74.212372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.212372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.212372 (E_RNA)
where:
Base-Base interactions energy: -17.171
where: short stacking energy: -16.345
Base-Backbone interact. energy: -0.196
local terms energy: -56.845543
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -9.576
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: 6
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -224.673569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.673569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.673569 (E_RNA)
where:
Base-Base interactions energy: -149.528
where: short stacking energy: -68.469
Base-Backbone interact. energy: -0.092
local terms energy: -75.053447
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -17.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -209.143741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.143741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.143741 (E_RNA)
where:
Base-Base interactions energy: -138.103
where: short stacking energy: -59.423
Base-Backbone interact. energy: -0.001
local terms energy: -71.039255
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -19.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -211.054562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.054562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.054562 (E_RNA)
where:
Base-Base interactions energy: -131.254
where: short stacking energy: -59.302
Base-Backbone interact. energy: -0.085
local terms energy: -79.716095
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -14.154
tors. eta vs tors. theta energy: -20.918
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: 184
Temperature: 1.050000
Total energy: -213.355256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.355256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.355256 (E_RNA)
where:
Base-Base interactions energy: -137.509
where: short stacking energy: -60.761
Base-Backbone interact. energy: -0.005
local terms energy: -75.840615
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -18.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -191.965300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.965300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.965300 (E_RNA)
where:
Base-Base interactions energy: -126.139
where: short stacking energy: -51.581
Base-Backbone interact. energy: -0.129
local terms energy: -65.697445
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -6.033
tors. eta vs tors. theta energy: -14.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -121.173395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.173395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.173395 (E_RNA)
where:
Base-Base interactions energy: -72.705
where: short stacking energy: -40.073
Base-Backbone interact. energy: -0.491
local terms energy: -47.977483
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -2.743
tors. eta vs tors. theta energy: -1.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -128.982896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.982896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.982896 (E_RNA)
where:
Base-Base interactions energy: -64.959
where: short stacking energy: -38.660
Base-Backbone interact. energy: -0.204
local terms energy: -63.819479
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -7.154
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: 1
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -87.528378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.528378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.528378 (E_RNA)
where:
Base-Base interactions energy: -36.696
where: short stacking energy: -33.549
Base-Backbone interact. energy: -0.030
local terms energy: -50.801969
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -12.332
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -4.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -78.973986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.973986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.973986 (E_RNA)
where:
Base-Base interactions energy: -29.195
where: short stacking energy: -15.235
Base-Backbone interact. energy: -0.121
local terms energy: -49.657854
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -8.376
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: 10, replica: 10
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -78.577958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.577958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.577958 (E_RNA)
where:
Base-Base interactions energy: -38.231
where: short stacking energy: -20.985
Base-Backbone interact. energy: -0.033
local terms energy: -40.314877
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -2.585
flat angles C4'-P-C4' energy: -11.580
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -4.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -226.107113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.107113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.107113 (E_RNA)
where:
Base-Base interactions energy: -154.704
where: short stacking energy: -74.165
Base-Backbone interact. energy: -0.066
local terms energy: -71.336476
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -21.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -221.376063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.376063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.376063 (E_RNA)
where:
Base-Base interactions energy: -151.968
where: short stacking energy: -66.956
Base-Backbone interact. energy: -0.038
local terms energy: -69.370696
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -13.248
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -5.550
tors. eta vs tors. theta energy: -22.581
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: 3, replica: 2
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -209.233969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.233969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.233969 (E_RNA)
where:
Base-Base interactions energy: -138.152
where: short stacking energy: -57.078
Base-Backbone interact. energy: -0.028
local terms energy: -71.053865
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -16.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -199.802306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.802306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.802306 (E_RNA)
where:
Base-Base interactions energy: -121.259
where: short stacking energy: -56.910
Base-Backbone interact. energy: -0.707
local terms energy: -77.836065
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -18.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -174.597265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.597265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.597265 (E_RNA)
where:
Base-Base interactions energy: -112.056
where: short stacking energy: -50.821
Base-Backbone interact. energy: -0.136
local terms energy: -62.405791
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -10.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -158.809347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.809347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.809347 (E_RNA)
where:
Base-Base interactions energy: -100.607
where: short stacking energy: -33.622
Base-Backbone interact. energy: 0.455
local terms energy: -58.657055
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -5.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -114.591474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.591474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.591474 (E_RNA)
where:
Base-Base interactions energy: -55.811
where: short stacking energy: -32.549
Base-Backbone interact. energy: -0.066
local terms energy: -58.714254
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -6.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -86.392866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.392866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.392866 (E_RNA)
where:
Base-Base interactions energy: -36.572
where: short stacking energy: -31.584
Base-Backbone interact. energy: 0.057
local terms energy: -49.878395
where:
bonds (distance) C4'-P energy: -10.394
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -0.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -80.121301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.121301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.121301 (E_RNA)
where:
Base-Base interactions energy: -38.022
where: short stacking energy: -30.331
Base-Backbone interact. energy: -0.208
local terms energy: -41.890779
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -9.657
flat angles P-C4'-P energy: 0.088
tors. eta vs tors. theta energy: -1.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -81.646520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.646520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.646520 (E_RNA)
where:
Base-Base interactions energy: -31.224
where: short stacking energy: -20.992
Base-Backbone interact. energy: -0.153
local terms energy: -50.270121
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: 0.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -225.507036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.507036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.507036 (E_RNA)
where:
Base-Base interactions energy: -149.931
where: short stacking energy: -67.954
Base-Backbone interact. energy: -0.161
local terms energy: -75.414677
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -19.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -216.027849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.027849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.027849 (E_RNA)
where:
Base-Base interactions energy: -143.425
where: short stacking energy: -62.247
Base-Backbone interact. energy: -0.569
local terms energy: -72.034527
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -8.682
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -19.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -196.927298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.927298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.927298 (E_RNA)
where:
Base-Base interactions energy: -134.636
where: short stacking energy: -56.073
Base-Backbone interact. energy: 0.099
local terms energy: -62.390690
where:
bonds (distance) C4'-P energy: -10.067
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -15.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -191.823128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.823128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.823128 (E_RNA)
where:
Base-Base interactions energy: -127.978
where: short stacking energy: -60.179
Base-Backbone interact. energy: -0.094
local terms energy: -63.750790
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -10.699
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -13.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -187.450176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.450176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.450176 (E_RNA)
where:
Base-Base interactions energy: -122.011
where: short stacking energy: -53.268
Base-Backbone interact. energy: -0.346
local terms energy: -65.092896
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -12.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -169.380813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.380813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.380813 (E_RNA)
where:
Base-Base interactions energy: -106.794
where: short stacking energy: -43.672
Base-Backbone interact. energy: -0.029
local terms energy: -62.558035
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -10.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -100.406793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.406793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.406793 (E_RNA)
where:
Base-Base interactions energy: -46.338
where: short stacking energy: -46.338
Base-Backbone interact. energy: -0.053
local terms energy: -54.015766
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -5.436
tors. eta vs tors. theta energy: -10.539
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: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -90.680024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.680024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.680024 (E_RNA)
where:
Base-Base interactions energy: -36.356
where: short stacking energy: -27.893
Base-Backbone interact. energy: 1.853
local terms energy: -56.177033
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -5.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -91.050673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.050673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.050673 (E_RNA)
where:
Base-Base interactions energy: -42.159
where: short stacking energy: -29.358
Base-Backbone interact. energy: 0.125
local terms energy: -49.016417
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -11.050
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -1.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -78.287234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.287234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.287234 (E_RNA)
where:
Base-Base interactions energy: -36.142
where: short stacking energy: -23.465
Base-Backbone interact. energy: -0.213
local terms energy: -41.932062
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -10.363
flat angles P-C4'-P energy: -5.071
tors. eta vs tors. theta energy: 0.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -222.340770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.340770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.340770 (E_RNA)
where:
Base-Base interactions energy: -145.639
where: short stacking energy: -61.711
Base-Backbone interact. energy: -0.467
local terms energy: -76.233982
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -18.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -202.728781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.728781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.728781 (E_RNA)
where:
Base-Base interactions energy: -129.653
where: short stacking energy: -53.495
Base-Backbone interact. energy: -0.006
local terms energy: -73.069040
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -17.241
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: 6
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -217.270031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.270031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.270031 (E_RNA)
where:
Base-Base interactions energy: -140.037
where: short stacking energy: -64.831
Base-Backbone interact. energy: -0.083
local terms energy: -77.150074
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -19.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -193.722926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.722926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.722926 (E_RNA)
where:
Base-Base interactions energy: -124.509
where: short stacking energy: -57.681
Base-Backbone interact. energy: -0.085
local terms energy: -69.128996
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -14.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -207.215869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.215869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.215869 (E_RNA)
where:
Base-Base interactions energy: -143.008
where: short stacking energy: -67.567
Base-Backbone interact. energy: 0.303
local terms energy: -64.511335
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -11.155
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -18.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -144.792750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.792750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.792750 (E_RNA)
where:
Base-Base interactions energy: -90.121
where: short stacking energy: -45.553
Base-Backbone interact. energy: -0.255
local terms energy: -54.416044
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -6.150
tors. eta vs tors. theta energy: -6.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -97.836741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.836741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.836741 (E_RNA)
where:
Base-Base interactions energy: -38.479
where: short stacking energy: -37.363
Base-Backbone interact. energy: -0.493
local terms energy: -58.865064
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -14.143
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -5.360
tors. eta vs tors. theta energy: -7.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -97.769769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.769769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.769769 (E_RNA)
where:
Base-Base interactions energy: -45.797
where: short stacking energy: -30.298
Base-Backbone interact. energy: -0.121
local terms energy: -51.851481
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -9.229
flat angles P-C4'-P energy: -5.728
tors. eta vs tors. theta energy: -6.521
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: 9, replica: 10
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -77.018929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.018929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.018929 (E_RNA)
where:
Base-Base interactions energy: -30.085
where: short stacking energy: -22.753
Base-Backbone interact. energy: -0.124
local terms energy: -46.809404
where:
bonds (distance) C4'-P energy: -8.194
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -10.244
flat angles P-C4'-P energy: -10.018
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: 10, replica: 1
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -66.392618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.392618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.392618 (E_RNA)
where:
Base-Base interactions energy: -19.461
where: short stacking energy: -11.570
Base-Backbone interact. energy: -0.035
local terms energy: -46.896189
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: 0.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -220.112278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.112278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.112278 (E_RNA)
where:
Base-Base interactions energy: -147.469
where: short stacking energy: -61.300
Base-Backbone interact. energy: 0.465
local terms energy: -73.108319
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -14.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -204.462347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.462347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.462347 (E_RNA)
where:
Base-Base interactions energy: -139.209
where: short stacking energy: -54.121
Base-Backbone interact. energy: -0.394
local terms energy: -64.859615
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -10.028
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -17.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -213.801052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.801052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.801052 (E_RNA)
where:
Base-Base interactions energy: -139.548
where: short stacking energy: -69.415
Base-Backbone interact. energy: -0.104
local terms energy: -74.149007
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -20.324
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: 7
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -186.241354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.241354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.241354 (E_RNA)
where:
Base-Base interactions energy: -118.235
where: short stacking energy: -59.641
Base-Backbone interact. energy: -0.692
local terms energy: -67.314298
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -18.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -204.919429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.919429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.919429 (E_RNA)
where:
Base-Base interactions energy: -136.718
where: short stacking energy: -63.866
Base-Backbone interact. energy: 0.853
local terms energy: -69.054288
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -6.106
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -20.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -163.065102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.065102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.065102 (E_RNA)
where:
Base-Base interactions energy: -98.804
where: short stacking energy: -51.708
Base-Backbone interact. energy: -0.114
local terms energy: -64.147178
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -12.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -110.859724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.859724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.859724 (E_RNA)
where:
Base-Base interactions energy: -59.334
where: short stacking energy: -38.027
Base-Backbone interact. energy: -0.732
local terms energy: -50.793800
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -3.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -77.031373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.031373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.031373 (E_RNA)
where:
Base-Base interactions energy: -23.446
where: short stacking energy: -20.113
Base-Backbone interact. energy: -0.105
local terms energy: -53.480184
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -10.276
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -3.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -84.813068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.813068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.813068 (E_RNA)
where:
Base-Base interactions energy: -35.676
where: short stacking energy: -28.836
Base-Backbone interact. energy: -0.105
local terms energy: -49.032500
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -1.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -79.254850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.254850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.254850 (E_RNA)
where:
Base-Base interactions energy: -35.987
where: short stacking energy: -24.771
Base-Backbone interact. energy: 0.581
local terms energy: -43.848430
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: 0.860
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: 5
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -227.351648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.351648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.351648 (E_RNA)
where:
Base-Base interactions energy: -146.366
where: short stacking energy: -64.897
Base-Backbone interact. energy: -0.107
local terms energy: -80.878999
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -19.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -214.791840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.791840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.791840 (E_RNA)
where:
Base-Base interactions energy: -145.579
where: short stacking energy: -64.699
Base-Backbone interact. energy: -0.002
local terms energy: -69.211017
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -19.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -203.569895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.569895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.569895 (E_RNA)
where:
Base-Base interactions energy: -129.983
where: short stacking energy: -51.465
Base-Backbone interact. energy: -0.325
local terms energy: -73.262715
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -14.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -205.811354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.811354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.811354 (E_RNA)
where:
Base-Base interactions energy: -135.391
where: short stacking energy: -63.126
Base-Backbone interact. energy: -0.028
local terms energy: -70.392323
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -20.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -179.798982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.798982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.798982 (E_RNA)
where:
Base-Base interactions energy: -120.229
where: short stacking energy: -50.258
Base-Backbone interact. energy: 0.825
local terms energy: -60.395214
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -11.645
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -11.514
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: 6, replica: 3
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -164.903629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.903629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.903629 (E_RNA)
where:
Base-Base interactions energy: -105.943
where: short stacking energy: -46.398
Base-Backbone interact. energy: -0.005
local terms energy: -58.955958
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -9.525
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -11.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -88.276963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.276963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.276963 (E_RNA)
where:
Base-Base interactions energy: -44.654
where: short stacking energy: -27.710
Base-Backbone interact. energy: -0.258
local terms energy: -43.364717
where:
bonds (distance) C4'-P energy: -10.667
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -5.220
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: 8, replica: 10
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -86.045947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.045947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.045947 (E_RNA)
where:
Base-Base interactions energy: -34.085
where: short stacking energy: -28.370
Base-Backbone interact. energy: -0.039
local terms energy: -51.922245
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -1.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -81.829681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.829681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.829681 (E_RNA)
where:
Base-Base interactions energy: -35.697
where: short stacking energy: -15.881
Base-Backbone interact. energy: -0.463
local terms energy: -45.669542
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -5.649
tors. eta vs tors. theta energy: -4.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -82.104959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.104959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.104959 (E_RNA)
where:
Base-Base interactions energy: -37.399
where: short stacking energy: -23.687
Base-Backbone interact. energy: -0.283
local terms energy: -44.422468
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -3.271
tors. eta vs tors. theta energy: 0.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -226.143963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.143963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.143963 (E_RNA)
where:
Base-Base interactions energy: -153.333
where: short stacking energy: -69.444
Base-Backbone interact. energy: -0.093
local terms energy: -72.717716
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -6.341
tors. eta vs tors. theta energy: -18.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -224.579549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.579549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.579549 (E_RNA)
where:
Base-Base interactions energy: -146.111
where: short stacking energy: -67.467
Base-Backbone interact. energy: 0.503
local terms energy: -78.971891
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -21.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -205.936349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.936349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.936349 (E_RNA)
where:
Base-Base interactions energy: -138.496
where: short stacking energy: -54.458
Base-Backbone interact. energy: -0.094
local terms energy: -67.346602
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -16.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -201.309390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.309390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.309390 (E_RNA)
where:
Base-Base interactions energy: -134.524
where: short stacking energy: -66.389
Base-Backbone interact. energy: -0.012
local terms energy: -66.772658
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -8.517
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -17.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -160.792774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.792774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.792774 (E_RNA)
where:
Base-Base interactions energy: -92.206
where: short stacking energy: -41.098
Base-Backbone interact. energy: -0.125
local terms energy: -68.461983
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -10.725
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: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -146.552512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.552512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.552512 (E_RNA)
where:
Base-Base interactions energy: -86.598
where: short stacking energy: -38.163
Base-Backbone interact. energy: -0.284
local terms energy: -59.670733
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -7.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -102.304211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.304211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.304211 (E_RNA)
where:
Base-Base interactions energy: -41.684
where: short stacking energy: -40.513
Base-Backbone interact. energy: -0.144
local terms energy: -60.476320
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -9.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -78.021114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.021114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.021114 (E_RNA)
where:
Base-Base interactions energy: -31.890
where: short stacking energy: -16.096
Base-Backbone interact. energy: -0.228
local terms energy: -45.903715
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -10.090
flat angles P-C4'-P energy: -6.348
tors. eta vs tors. theta energy: -1.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -78.188595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.188595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.188595 (E_RNA)
where:
Base-Base interactions energy: -23.273
where: short stacking energy: -23.273
Base-Backbone interact. energy: 0.381
local terms energy: -55.296789
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -4.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -72.380219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.380219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.380219 (E_RNA)
where:
Base-Base interactions energy: -23.556
where: short stacking energy: -23.556
Base-Backbone interact. energy: -0.817
local terms energy: -48.007872
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -8.846
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -3.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -220.947698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.947698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.947698 (E_RNA)
where:
Base-Base interactions energy: -146.703
where: short stacking energy: -64.024
Base-Backbone interact. energy: -0.119
local terms energy: -74.126018
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -19.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -219.589808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.589808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.589808 (E_RNA)
where:
Base-Base interactions energy: -147.508
where: short stacking energy: -65.797
Base-Backbone interact. energy: -0.398
local terms energy: -71.683439
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -17.372
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: 3, replica: 2
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -198.719460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.719460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.719460 (E_RNA)
where:
Base-Base interactions energy: -133.095
where: short stacking energy: -52.457
Base-Backbone interact. energy: -0.011
local terms energy: -65.613584
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -13.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -201.272165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.272165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.272165 (E_RNA)
where:
Base-Base interactions energy: -139.096
where: short stacking energy: -66.076
Base-Backbone interact. energy: -0.001
local terms energy: -62.175087
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -5.076
tors. eta vs tors. theta energy: -17.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -179.752268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.752268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.752268 (E_RNA)
where:
Base-Base interactions energy: -113.431
where: short stacking energy: -66.297
Base-Backbone interact. energy: -0.260
local terms energy: -66.062177
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -12.117
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -13.562
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: 6, replica: 3
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -165.219734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.219734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.219734 (E_RNA)
where:
Base-Base interactions energy: -101.207
where: short stacking energy: -45.090
Base-Backbone interact. energy: -0.936
local terms energy: -63.076187
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -11.167
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -9.271
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: 8
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -96.012314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.012314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.012314 (E_RNA)
where:
Base-Base interactions energy: -43.697
where: short stacking energy: -35.204
Base-Backbone interact. energy: -0.020
local terms energy: -52.295431
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -2.964
tors. eta vs tors. theta energy: -4.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -92.578912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.578912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.578912 (E_RNA)
where:
Base-Base interactions energy: -37.128
where: short stacking energy: -25.541
Base-Backbone interact. energy: 1.110
local terms energy: -56.561079
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -8.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -68.592641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.592641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.592641 (E_RNA)
where:
Base-Base interactions energy: -33.607
where: short stacking energy: -21.019
Base-Backbone interact. energy: 1.773
local terms energy: -36.758443
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -7.330
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -4.635
tors. eta vs tors. theta energy: 0.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -76.255113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.255113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.255113 (E_RNA)
where:
Base-Base interactions energy: -27.437
where: short stacking energy: -22.777
Base-Backbone interact. energy: -0.064
local terms energy: -48.754744
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -9.899
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -3.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -229.573954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.573954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.573954 (E_RNA)
where:
Base-Base interactions energy: -154.315
where: short stacking energy: -67.474
Base-Backbone interact. energy: -0.106
local terms energy: -75.153295
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -20.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -218.932407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.932407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.932407 (E_RNA)
where:
Base-Base interactions energy: -139.177
where: short stacking energy: -67.652
Base-Backbone interact. energy: -0.150
local terms energy: -79.604879
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -22.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -209.577806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.577806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.577806 (E_RNA)
where:
Base-Base interactions energy: -133.133
where: short stacking energy: -52.189
Base-Backbone interact. energy: -0.004
local terms energy: -76.440619
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -20.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -198.734506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.734506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.734506 (E_RNA)
where:
Base-Base interactions energy: -128.189
where: short stacking energy: -47.723
Base-Backbone interact. energy: -0.452
local terms energy: -70.093738
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -14.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -204.953491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.953491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.953491 (E_RNA)
where:
Base-Base interactions energy: -124.789
where: short stacking energy: -57.980
Base-Backbone interact. energy: -0.001
local terms energy: -80.163015
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -19.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -171.057625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.057625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.057625 (E_RNA)
where:
Base-Base interactions energy: -112.203
where: short stacking energy: -54.024
Base-Backbone interact. energy: 0.339
local terms energy: -59.193561
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -1.254
tors. eta vs tors. theta energy: -15.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -91.502877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.502877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.502877 (E_RNA)
where:
Base-Base interactions energy: -43.185
where: short stacking energy: -25.182
Base-Backbone interact. energy: -0.175
local terms energy: -48.142993
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -9.267
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -8.441
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: 8, replica: 8
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -97.399425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.399425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.399425 (E_RNA)
where:
Base-Base interactions energy: -49.781
where: short stacking energy: -29.781
Base-Backbone interact. energy: -0.489
local terms energy: -47.129510
where:
bonds (distance) C4'-P energy: -7.636
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -1.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -86.454448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.454448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.454448 (E_RNA)
where:
Base-Base interactions energy: -35.554
where: short stacking energy: -26.516
Base-Backbone interact. energy: -0.398
local terms energy: -50.502280
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -72.196789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.196789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.196789 (E_RNA)
where:
Base-Base interactions energy: -27.229
where: short stacking energy: -23.598
Base-Backbone interact. energy: -0.224
local terms energy: -44.744433
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -5.485
tors. eta vs tors. theta energy: 0.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -226.915048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.915048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.915048 (E_RNA)
where:
Base-Base interactions energy: -152.324
where: short stacking energy: -65.204
Base-Backbone interact. energy: -0.119
local terms energy: -74.472028
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -16.965
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -18.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -227.831610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.831610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.831610 (E_RNA)
where:
Base-Base interactions energy: -150.045
where: short stacking energy: -62.107
Base-Backbone interact. energy: -0.148
local terms energy: -77.638933
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -18.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -225.852055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.852055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.852055 (E_RNA)
where:
Base-Base interactions energy: -152.164
where: short stacking energy: -69.537
Base-Backbone interact. energy: -0.005
local terms energy: -73.684001
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -21.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -209.987820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.987820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.987820 (E_RNA)
where:
Base-Base interactions energy: -138.312
where: short stacking energy: -62.235
Base-Backbone interact. energy: -0.003
local terms energy: -71.672417
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -5.296
tors. eta vs tors. theta energy: -19.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -193.700101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.700101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.700101 (E_RNA)
where:
Base-Base interactions energy: -126.885
where: short stacking energy: -56.167
Base-Backbone interact. energy: -0.062
local terms energy: -66.753338
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -6.676
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -17.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -204.247243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.247243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.247243 (E_RNA)
where:
Base-Base interactions energy: -130.225
where: short stacking energy: -59.491
Base-Backbone interact. energy: -0.007
local terms energy: -74.014796
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -16.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -85.746769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.746769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.746769 (E_RNA)
where:
Base-Base interactions energy: -37.846
where: short stacking energy: -22.708
Base-Backbone interact. energy: -0.138
local terms energy: -47.762430
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -6.653
tors. eta vs tors. theta energy: -2.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -83.096184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.096184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.096184 (E_RNA)
where:
Base-Base interactions energy: -37.126
where: short stacking energy: -31.201
Base-Backbone interact. energy: -0.053
local terms energy: -45.917377
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -11.583
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -0.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -105.296099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.296099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.296099 (E_RNA)
where:
Base-Base interactions energy: -52.779
where: short stacking energy: -22.514
Base-Backbone interact. energy: -0.566
local terms energy: -51.951169
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -13.152
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -10.033
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: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -75.613349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.613349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.613349 (E_RNA)
where:
Base-Base interactions energy: -30.438
where: short stacking energy: -30.438
Base-Backbone interact. energy: -0.119
local terms energy: -45.056897
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -10.048
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -3.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -233.954498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.954498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.954498 (E_RNA)
where:
Base-Base interactions energy: -159.191
where: short stacking energy: -72.066
Base-Backbone interact. energy: -0.039
local terms energy: -74.724492
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -18.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -213.522295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.522295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.522295 (E_RNA)
where:
Base-Base interactions energy: -140.683
where: short stacking energy: -66.039
Base-Backbone interact. energy: -0.360
local terms energy: -72.478953
where:
bonds (distance) C4'-P energy: -7.887
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -19.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -210.154550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.154550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.154550 (E_RNA)
where:
Base-Base interactions energy: -134.851
where: short stacking energy: -57.805
Base-Backbone interact. energy: -0.006
local terms energy: -75.297305
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -17.752
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: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -212.464562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.464562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.464562 (E_RNA)
where:
Base-Base interactions energy: -146.830
where: short stacking energy: -63.390
Base-Backbone interact. energy: -0.176
local terms energy: -65.458366
where:
bonds (distance) C4'-P energy: -10.465
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -18.110
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: 7
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -207.032542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.032542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.032542 (E_RNA)
where:
Base-Base interactions energy: -131.870
where: short stacking energy: -63.717
Base-Backbone interact. energy: -0.003
local terms energy: -75.159093
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -18.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -177.702630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.702630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.702630 (E_RNA)
where:
Base-Base interactions energy: -113.751
where: short stacking energy: -42.047
Base-Backbone interact. energy: -0.714
local terms energy: -63.238034
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -11.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -91.816561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.816561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.816561 (E_RNA)
where:
Base-Base interactions energy: -43.921
where: short stacking energy: -23.572
Base-Backbone interact. energy: -0.333
local terms energy: -47.562272
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -10.660
flat angles C4'-P-C4' energy: -18.420
flat angles P-C4'-P energy: -7.185
tors. eta vs tors. theta energy: 0.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -79.178594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.178594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.178594 (E_RNA)
where:
Base-Base interactions energy: -29.660
where: short stacking energy: -19.621
Base-Backbone interact. energy: -0.302
local terms energy: -49.216686
where:
bonds (distance) C4'-P energy: -9.674
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: 2.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -85.243156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.243156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.243156 (E_RNA)
where:
Base-Base interactions energy: -29.787
where: short stacking energy: -29.787
Base-Backbone interact. energy: -0.276
local terms energy: -55.180676
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -2.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -83.033778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.033778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.033778 (E_RNA)
where:
Base-Base interactions energy: -37.845
where: short stacking energy: -34.736
Base-Backbone interact. energy: -0.099
local terms energy: -45.090004
where:
bonds (distance) C4'-P energy: -9.215
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -4.864
tors. eta vs tors. theta energy: -3.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -228.930482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.930482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.930482 (E_RNA)
where:
Base-Base interactions energy: -152.990
where: short stacking energy: -69.956
Base-Backbone interact. energy: -0.089
local terms energy: -75.851507
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -20.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -223.494410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.494410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.494410 (E_RNA)
where:
Base-Base interactions energy: -152.842
where: short stacking energy: -61.694
Base-Backbone interact. energy: -0.065
local terms energy: -70.586719
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -16.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -204.042126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.042126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.042126 (E_RNA)
where:
Base-Base interactions energy: -134.912
where: short stacking energy: -61.852
Base-Backbone interact. energy: -0.213
local terms energy: -68.917315
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -16.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -210.804008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.804008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.804008 (E_RNA)
where:
Base-Base interactions energy: -136.884
where: short stacking energy: -64.991
Base-Backbone interact. energy: -0.950
local terms energy: -72.970611
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: -22.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -212.061261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.061261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.061261 (E_RNA)
where:
Base-Base interactions energy: -141.241
where: short stacking energy: -63.506
Base-Backbone interact. energy: -0.559
local terms energy: -70.261777
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -10.702
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -18.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -188.289841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.289841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.289841 (E_RNA)
where:
Base-Base interactions energy: -119.872
where: short stacking energy: -53.921
Base-Backbone interact. energy: -0.101
local terms energy: -68.316686
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -13.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -98.511130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.511130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.511130 (E_RNA)
where:
Base-Base interactions energy: -45.726
where: short stacking energy: -27.178
Base-Backbone interact. energy: 0.342
local terms energy: -53.126221
where:
bonds (distance) C4'-P energy: -7.724
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -4.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -84.110351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.110351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.110351 (E_RNA)
where:
Base-Base interactions energy: -39.986
where: short stacking energy: -29.736
Base-Backbone interact. energy: -0.162
local terms energy: -43.962632
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -2.193
tors. eta vs tors. theta energy: 0.504
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: 1
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -84.872224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.872224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.872224 (E_RNA)
where:
Base-Base interactions energy: -36.048
where: short stacking energy: -18.451
Base-Backbone interact. energy: -0.497
local terms energy: -48.327182
where:
bonds (distance) C4'-P energy: -11.410
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -4.882
tors. eta vs tors. theta energy: -2.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -83.801739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.801739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.801739 (E_RNA)
where:
Base-Base interactions energy: -37.827
where: short stacking energy: -32.209
Base-Backbone interact. energy: -0.062
local terms energy: -45.913292
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -7.301
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -2.646
tors. eta vs tors. theta energy: -6.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -222.570804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.570804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.570804 (E_RNA)
where:
Base-Base interactions energy: -146.854
where: short stacking energy: -59.091
Base-Backbone interact. energy: -0.063
local terms energy: -75.654000
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -15.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -220.271231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.271231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.271231 (E_RNA)
where:
Base-Base interactions energy: -141.241
where: short stacking energy: -74.011
Base-Backbone interact. energy: -0.005
local terms energy: -79.024591
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -19.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -214.951519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.951519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.951519 (E_RNA)
where:
Base-Base interactions energy: -138.705
where: short stacking energy: -64.299
Base-Backbone interact. energy: -0.044
local terms energy: -76.202085
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -18.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -201.069006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.069006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.069006 (E_RNA)
where:
Base-Base interactions energy: -124.302
where: short stacking energy: -58.696
Base-Backbone interact. energy: -0.030
local terms energy: -76.737223
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -19.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -187.929840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.929840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.929840 (E_RNA)
where:
Base-Base interactions energy: -122.672
where: short stacking energy: -54.591
Base-Backbone interact. energy: -0.802
local terms energy: -64.455177
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -13.604
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: 3
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -192.344366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.344366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.344366 (E_RNA)
where:
Base-Base interactions energy: -130.072
where: short stacking energy: -56.884
Base-Backbone interact. energy: -0.011
local terms energy: -62.261060
where:
bonds (distance) C4'-P energy: -8.109
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -21.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -85.084891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.084891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.084891 (E_RNA)
where:
Base-Base interactions energy: -41.043
where: short stacking energy: -33.109
Base-Backbone interact. energy: -0.003
local terms energy: -44.038261
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -11.817
flat angles C4'-P-C4' energy: -10.102
flat angles P-C4'-P energy: -5.606
tors. eta vs tors. theta energy: -1.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -92.797393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.797393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.797393 (E_RNA)
where:
Base-Base interactions energy: -31.192
where: short stacking energy: -20.939
Base-Backbone interact. energy: -0.042
local terms energy: -61.563989
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -9.543
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: 8
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -77.770316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.770316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.770316 (E_RNA)
where:
Base-Base interactions energy: -29.194
where: short stacking energy: -18.586
Base-Backbone interact. energy: -0.117
local terms energy: -48.458533
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -6.178
tors. eta vs tors. theta energy: -1.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -79.535556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.535556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.535556 (E_RNA)
where:
Base-Base interactions energy: -33.741
where: short stacking energy: -24.597
Base-Backbone interact. energy: -0.155
local terms energy: -45.639629
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: 2.645
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: 1, replica: 4
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -226.599032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.599032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.599032 (E_RNA)
where:
Base-Base interactions energy: -145.991
where: short stacking energy: -65.113
Base-Backbone interact. energy: -0.083
local terms energy: -80.525061
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -21.346
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: 197
Temperature: 0.950000
Total energy: -222.585735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.585735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.585735 (E_RNA)
where:
Base-Base interactions energy: -145.134
where: short stacking energy: -65.122
Base-Backbone interact. energy: -0.023
local terms energy: -77.429270
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -21.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -216.567440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.567440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.567440 (E_RNA)
where:
Base-Base interactions energy: -143.214
where: short stacking energy: -66.130
Base-Backbone interact. energy: 1.740
local terms energy: -75.093189
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -19.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -210.816303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.816303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.816303 (E_RNA)
where:
Base-Base interactions energy: -137.561
where: short stacking energy: -68.963
Base-Backbone interact. energy: -0.339
local terms energy: -72.916520
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -10.932
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -20.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -189.006949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.006949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.006949 (E_RNA)
where:
Base-Base interactions energy: -122.992
where: short stacking energy: -55.070
Base-Backbone interact. energy: -0.026
local terms energy: -65.988578
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -6.337
tors. eta vs tors. theta energy: -17.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -184.896595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.896595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.896595 (E_RNA)
where:
Base-Base interactions energy: -109.108
where: short stacking energy: -55.345
Base-Backbone interact. energy: -0.420
local terms energy: -75.368526
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -13.546
tors. eta vs tors. theta energy: -20.245
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: 197
Temperature: 1.200000
Total energy: -87.068610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.068610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.068610 (E_RNA)
where:
Base-Base interactions energy: -34.124
where: short stacking energy: -32.066
Base-Backbone interact. energy: -0.050
local terms energy: -52.894498
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -11.771
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -1.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -91.659389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.659389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.659389 (E_RNA)
where:
Base-Base interactions energy: -48.197
where: short stacking energy: -22.878
Base-Backbone interact. energy: -0.366
local terms energy: -43.096210
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -8.955
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: 0.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -79.966541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.966541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.966541 (E_RNA)
where:
Base-Base interactions energy: -21.832
where: short stacking energy: -21.205
Base-Backbone interact. energy: -1.854
local terms energy: -56.280538
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -3.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -65.818217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.818217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.818217 (E_RNA)
where:
Base-Base interactions energy: -27.517
where: short stacking energy: -18.157
Base-Backbone interact. energy: 0.516
local terms energy: -38.816867
where:
bonds (distance) C4'-P energy: -7.121
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -4.918
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: 7
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -223.715583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.715583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.715583 (E_RNA)
where:
Base-Base interactions energy: -144.409
where: short stacking energy: -71.754
Base-Backbone interact. energy: -0.010
local terms energy: -79.296410
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -22.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -214.656704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.656704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.656704 (E_RNA)
where:
Base-Base interactions energy: -145.825
where: short stacking energy: -65.353
Base-Backbone interact. energy: -0.005
local terms energy: -68.826592
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -11.465
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -18.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -216.058246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.058246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.058246 (E_RNA)
where:
Base-Base interactions energy: -140.618
where: short stacking energy: -58.426
Base-Backbone interact. energy: -0.027
local terms energy: -75.413088
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -17.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -213.005984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.005984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.005984 (E_RNA)
where:
Base-Base interactions energy: -131.569
where: short stacking energy: -61.220
Base-Backbone interact. energy: -0.157
local terms energy: -81.279826
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -20.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -201.902899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.902899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.902899 (E_RNA)
where:
Base-Base interactions energy: -127.575
where: short stacking energy: -64.562
Base-Backbone interact. energy: 1.404
local terms energy: -75.732049
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -18.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -160.928712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.928712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.928712 (E_RNA)
where:
Base-Base interactions energy: -107.783
where: short stacking energy: -48.396
Base-Backbone interact. energy: -0.104
local terms energy: -53.041693
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -9.363
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -3.461
tors. eta vs tors. theta energy: -14.559
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: 8
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -80.646481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.646481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.646481 (E_RNA)
where:
Base-Base interactions energy: -31.990
where: short stacking energy: -16.765
Base-Backbone interact. energy: -0.220
local terms energy: -48.436893
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -7.959
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: 8, replica: 10
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -83.763727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.763727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.763727 (E_RNA)
where:
Base-Base interactions energy: -29.861
where: short stacking energy: -29.520
Base-Backbone interact. energy: -0.259
local terms energy: -53.643241
where:
bonds (distance) C4'-P energy: -8.879
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -4.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -71.992018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.992018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.992018 (E_RNA)
where:
Base-Base interactions energy: -26.623
where: short stacking energy: -19.415
Base-Backbone interact. energy: -1.755
local terms energy: -43.613391
where:
bonds (distance) C4'-P energy: -10.202
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -10.176
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -0.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -73.161375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.161375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.161375 (E_RNA)
where:
Base-Base interactions energy: -22.551
where: short stacking energy: -10.757
Base-Backbone interact. energy: -0.182
local terms energy: -50.428426
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -10.671
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -1.099
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: 7
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -225.466210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.466210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.466210 (E_RNA)
where:
Base-Base interactions energy: -144.224
where: short stacking energy: -72.540
Base-Backbone interact. energy: -0.012
local terms energy: -81.229625
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -23.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -223.931116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.931116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.931116 (E_RNA)
where:
Base-Base interactions energy: -150.203
where: short stacking energy: -62.251
Base-Backbone interact. energy: -0.037
local terms energy: -73.690948
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -19.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -201.074244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.074244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.074244 (E_RNA)
where:
Base-Base interactions energy: -128.404
where: short stacking energy: -61.548
Base-Backbone interact. energy: -0.339
local terms energy: -72.331402
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -16.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -210.415309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.415309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.415309 (E_RNA)
where:
Base-Base interactions energy: -141.980
where: short stacking energy: -59.650
Base-Backbone interact. energy: -0.036
local terms energy: -68.400025
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -7.632
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -19.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -199.574241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.574241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.574241 (E_RNA)
where:
Base-Base interactions energy: -127.382
where: short stacking energy: -61.954
Base-Backbone interact. energy: 0.351
local terms energy: -72.542719
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -14.897
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -20.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -163.886196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.886196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.886196 (E_RNA)
where:
Base-Base interactions energy: -99.614
where: short stacking energy: -48.774
Base-Backbone interact. energy: -0.170
local terms energy: -64.102784
where:
bonds (distance) C4'-P energy: -10.304
bonds (distance) P-C4' energy: -10.878
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -16.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -79.866057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.866057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.866057 (E_RNA)
where:
Base-Base interactions energy: -32.659
where: short stacking energy: -26.752
Base-Backbone interact. energy: 0.546
local terms energy: -47.752868
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -11.178
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -1.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -81.287892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.287892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.287892 (E_RNA)
where:
Base-Base interactions energy: -30.839
where: short stacking energy: -30.839
Base-Backbone interact. energy: -0.291
local terms energy: -50.157433
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: -8.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -81.074064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.074064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.074064 (E_RNA)
where:
Base-Base interactions energy: -34.497
where: short stacking energy: -34.072
Base-Backbone interact. energy: -0.009
local terms energy: -46.567391
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -2.886
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -69.306335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.306335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.306335 (E_RNA)
where:
Base-Base interactions energy: -25.672
where: short stacking energy: -22.464
Base-Backbone interact. energy: 0.327
local terms energy: -43.962156
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -8.848
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: 0.298
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: 7
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -226.624002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.624002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.624002 (E_RNA)
where:
Base-Base interactions energy: -146.344
where: short stacking energy: -70.563
Base-Backbone interact. energy: -0.395
local terms energy: -79.885076
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -18.605
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -22.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -226.865069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.865069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.865069 (E_RNA)
where:
Base-Base interactions energy: -151.848
where: short stacking energy: -65.328
Base-Backbone interact. energy: -0.341
local terms energy: -74.676255
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -6.091
tors. eta vs tors. theta energy: -21.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -222.703552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.703552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.703552 (E_RNA)
where:
Base-Base interactions energy: -150.651
where: short stacking energy: -55.506
Base-Backbone interact. energy: -0.135
local terms energy: -71.917268
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -20.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -197.653275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.653275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.653275 (E_RNA)
where:
Base-Base interactions energy: -122.041
where: short stacking energy: -60.596
Base-Backbone interact. energy: -0.195
local terms energy: -75.417004
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -18.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -208.432862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.432862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.432862 (E_RNA)
where:
Base-Base interactions energy: -134.620
where: short stacking energy: -56.657
Base-Backbone interact. energy: -0.094
local terms energy: -73.719046
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -21.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -177.173489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.173489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.173489 (E_RNA)
where:
Base-Base interactions energy: -113.777
where: short stacking energy: -52.045
Base-Backbone interact. energy: -0.184
local terms energy: -63.212267
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -10.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -84.847038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.847038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.847038 (E_RNA)
where:
Base-Base interactions energy: -31.865
where: short stacking energy: -31.865
Base-Backbone interact. energy: -0.091
local terms energy: -52.891187
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -8.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -95.886510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.886510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.886510 (E_RNA)
where:
Base-Base interactions energy: -51.426
where: short stacking energy: -19.264
Base-Backbone interact. energy: -0.217
local terms energy: -44.243966
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -2.753
tors. eta vs tors. theta energy: 1.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -93.999574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.999574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.999574 (E_RNA)
where:
Base-Base interactions energy: -44.867
where: short stacking energy: -26.267
Base-Backbone interact. energy: -0.436
local terms energy: -48.696003
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -4.355
tors. eta vs tors. theta energy: 1.969
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: 10
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -82.580210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.580210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.580210 (E_RNA)
where:
Base-Base interactions energy: -28.037
where: short stacking energy: -28.037
Base-Backbone interact. energy: -0.318
local terms energy: -54.225630
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -4.694
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: 7
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -225.690748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.690748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.690748 (E_RNA)
where:
Base-Base interactions energy: -144.650
where: short stacking energy: -69.109
Base-Backbone interact. energy: -0.210
local terms energy: -80.830344
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -14.164
tors. eta vs tors. theta energy: -21.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -218.693348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.693348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.693348 (E_RNA)
where:
Base-Base interactions energy: -138.942
where: short stacking energy: -65.099
Base-Backbone interact. energy: 0.075
local terms energy: -79.826313
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -15.098
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: -19.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -217.444355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.444355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.444355 (E_RNA)
where:
Base-Base interactions energy: -140.574
where: short stacking energy: -61.664
Base-Backbone interact. energy: -0.013
local terms energy: -76.857697
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -20.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -207.685857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.685857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.685857 (E_RNA)
where:
Base-Base interactions energy: -141.187
where: short stacking energy: -66.053
Base-Backbone interact. energy: -0.000
local terms energy: -66.498471
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -6.059
tors. eta vs tors. theta energy: -21.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -191.552736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.552736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.552736 (E_RNA)
where:
Base-Base interactions energy: -128.791
where: short stacking energy: -56.246
Base-Backbone interact. energy: -0.169
local terms energy: -62.593502
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -5.339
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -14.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -180.635573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.635573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.635573 (E_RNA)
where:
Base-Base interactions energy: -121.349
where: short stacking energy: -54.765
Base-Backbone interact. energy: -0.128
local terms energy: -59.157911
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -12.097
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -15.137
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: 7, replica: 9
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -96.701621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.701621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.701621 (E_RNA)
where:
Base-Base interactions energy: -31.714
where: short stacking energy: -29.022
Base-Backbone interact. energy: -0.016
local terms energy: -64.971254
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -11.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -89.387559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.387559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.387559 (E_RNA)
where:
Base-Base interactions energy: -37.744
where: short stacking energy: -34.406
Base-Backbone interact. energy: -0.614
local terms energy: -51.029253
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -0.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -74.728349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.728349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.728349 (E_RNA)
where:
Base-Base interactions energy: -26.260
where: short stacking energy: -26.260
Base-Backbone interact. energy: -0.167
local terms energy: -48.301463
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -8.596
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -5.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -82.125790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.125790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.125790 (E_RNA)
where:
Base-Base interactions energy: -26.586
where: short stacking energy: -21.194
Base-Backbone interact. energy: -0.265
local terms energy: -55.274651
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -1.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -216.651133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.651133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.651133 (E_RNA)
where:
Base-Base interactions energy: -140.736
where: short stacking energy: -68.477
Base-Backbone interact. energy: -0.004
local terms energy: -75.910936
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -17.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -215.749664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.749664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.749664 (E_RNA)
where:
Base-Base interactions energy: -137.951
where: short stacking energy: -62.942
Base-Backbone interact. energy: -0.010
local terms energy: -77.788188
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -19.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -204.104882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.104882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.104882 (E_RNA)
where:
Base-Base interactions energy: -128.743
where: short stacking energy: -61.630
Base-Backbone interact. energy: -0.091
local terms energy: -75.270146
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -13.121
tors. eta vs tors. theta energy: -18.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -210.233586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.233586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.233586 (E_RNA)
where:
Base-Base interactions energy: -136.489
where: short stacking energy: -57.021
Base-Backbone interact. energy: -0.032
local terms energy: -73.713238
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -20.514
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: 6
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -209.637013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.637013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.637013 (E_RNA)
where:
Base-Base interactions energy: -138.512
where: short stacking energy: -70.698
Base-Backbone interact. energy: -0.017
local terms energy: -71.107586
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -20.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -190.496357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.496357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.496357 (E_RNA)
where:
Base-Base interactions energy: -138.814
where: short stacking energy: -57.471
Base-Backbone interact. energy: 1.870
local terms energy: -53.552021
where:
bonds (distance) C4'-P energy: -5.460
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -9.532
flat angles P-C4'-P energy: -4.947
tors. eta vs tors. theta energy: -18.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -92.173865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.173865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.173865 (E_RNA)
where:
Base-Base interactions energy: -51.438
where: short stacking energy: -29.905
Base-Backbone interact. energy: -0.192
local terms energy: -40.544225
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -8.830
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -1.065
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: 8, replica: 1
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -89.337291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.337291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.337291 (E_RNA)
where:
Base-Base interactions energy: -40.266
where: short stacking energy: -20.907
Base-Backbone interact. energy: 0.383
local terms energy: -49.454098
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -16.205
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -1.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -83.813095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.813095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.813095 (E_RNA)
where:
Base-Base interactions energy: -37.071
where: short stacking energy: -21.856
Base-Backbone interact. energy: 0.571
local terms energy: -47.312456
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -5.384
tors. eta vs tors. theta energy: -3.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -70.073802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.073802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.073802 (E_RNA)
where:
Base-Base interactions energy: -23.562
where: short stacking energy: -17.894
Base-Backbone interact. energy: -0.177
local terms energy: -46.334986
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -0.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -210.766825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.766825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.766825 (E_RNA)
where:
Base-Base interactions energy: -135.353
where: short stacking energy: -66.485
Base-Backbone interact. energy: -0.044
local terms energy: -75.369413
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -19.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -214.016743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.016743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.016743 (E_RNA)
where:
Base-Base interactions energy: -138.614
where: short stacking energy: -59.839
Base-Backbone interact. energy: -1.235
local terms energy: -74.168290
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -14.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -213.474850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.474850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.474850 (E_RNA)
where:
Base-Base interactions energy: -144.633
where: short stacking energy: -63.290
Base-Backbone interact. energy: -0.007
local terms energy: -68.834174
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -17.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -208.373874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.373874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.373874 (E_RNA)
where:
Base-Base interactions energy: -131.889
where: short stacking energy: -55.571
Base-Backbone interact. energy: -0.733
local terms energy: -75.752535
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -20.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -208.061178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.061178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.061178 (E_RNA)
where:
Base-Base interactions energy: -134.349
where: short stacking energy: -67.597
Base-Backbone interact. energy: -0.002
local terms energy: -73.710094
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -11.504
flat angles P-C4'-P energy: -10.712
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: 6, replica: 2
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -195.930272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.930272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.930272 (E_RNA)
where:
Base-Base interactions energy: -127.521
where: short stacking energy: -54.054
Base-Backbone interact. energy: -0.006
local terms energy: -68.403285
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -15.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -91.538158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.538158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.538158 (E_RNA)
where:
Base-Base interactions energy: -37.195
where: short stacking energy: -31.674
Base-Backbone interact. energy: 0.073
local terms energy: -54.416998
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -8.402
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -5.824
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: 8, replica: 10
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -75.342367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.342367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.342367 (E_RNA)
where:
Base-Base interactions energy: -15.817
where: short stacking energy: -15.817
Base-Backbone interact. energy: -0.130
local terms energy: -59.395292
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -2.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -85.849593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.849593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.849593 (E_RNA)
where:
Base-Base interactions energy: -31.416
where: short stacking energy: -24.796
Base-Backbone interact. energy: -0.431
local terms energy: -54.001879
where:
bonds (distance) C4'-P energy: -9.889
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -8.081
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: 10, replica: 8
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -75.986073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.986073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.986073 (E_RNA)
where:
Base-Base interactions energy: -22.471
where: short stacking energy: -20.381
Base-Backbone interact. energy: -0.253
local terms energy: -53.261788
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -2.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -216.299577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.299577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.299577 (E_RNA)
where:
Base-Base interactions energy: -144.787
where: short stacking energy: -67.455
Base-Backbone interact. energy: -0.062
local terms energy: -71.450217
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -19.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -216.170333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.170333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.170333 (E_RNA)
where:
Base-Base interactions energy: -146.915
where: short stacking energy: -62.843
Base-Backbone interact. energy: -0.150
local terms energy: -69.105452
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -16.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -215.215429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.215429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.215429 (E_RNA)
where:
Base-Base interactions energy: -145.067
where: short stacking energy: -56.572
Base-Backbone interact. energy: -0.257
local terms energy: -69.890472
where:
bonds (distance) C4'-P energy: -9.130
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -16.964
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: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -204.699098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.699098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.699098 (E_RNA)
where:
Base-Base interactions energy: -131.223
where: short stacking energy: -59.567
Base-Backbone interact. energy: -1.143
local terms energy: -72.333325
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -17.609
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: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -204.529262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.529262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.529262 (E_RNA)
where:
Base-Base interactions energy: -141.804
where: short stacking energy: -66.586
Base-Backbone interact. energy: -0.064
local terms energy: -62.661757
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -8.930
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -16.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -190.925716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.925716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.925716 (E_RNA)
where:
Base-Base interactions energy: -128.660
where: short stacking energy: -50.763
Base-Backbone interact. energy: 0.474
local terms energy: -62.739902
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -18.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -85.661160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.661160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.661160 (E_RNA)
where:
Base-Base interactions energy: -37.409
where: short stacking energy: -24.056
Base-Backbone interact. energy: 0.538
local terms energy: -48.790199
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: 0.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -73.170725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.170725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.170725 (E_RNA)
where:
Base-Base interactions energy: -27.830
where: short stacking energy: -26.400
Base-Backbone interact. energy: -0.182
local terms energy: -45.158657
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -4.766
tors. eta vs tors. theta energy: -0.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -83.241560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.241560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.241560 (E_RNA)
where:
Base-Base interactions energy: -39.273
where: short stacking energy: -23.142
Base-Backbone interact. energy: -0.226
local terms energy: -43.742311
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -2.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -74.828151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.828151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.828151 (E_RNA)
where:
Base-Base interactions energy: -29.465
where: short stacking energy: -29.565
Base-Backbone interact. energy: -0.305
local terms energy: -45.057569
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -4.089
tors. eta vs tors. theta energy: 3.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -223.779729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.779729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.779729 (E_RNA)
where:
Base-Base interactions energy: -153.232
where: short stacking energy: -63.968
Base-Backbone interact. energy: -0.105
local terms energy: -70.443577
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -18.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -224.821705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.821705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.821705 (E_RNA)
where:
Base-Base interactions energy: -147.524
where: short stacking energy: -64.418
Base-Backbone interact. energy: 0.016
local terms energy: -77.313776
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -19.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -207.692197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.692197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.692197 (E_RNA)
where:
Base-Base interactions energy: -135.369
where: short stacking energy: -63.038
Base-Backbone interact. energy: -0.090
local terms energy: -72.233538
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -19.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -207.240762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.240762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.240762 (E_RNA)
where:
Base-Base interactions energy: -141.090
where: short stacking energy: -63.758
Base-Backbone interact. energy: -0.015
local terms energy: -66.135692
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -14.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -183.767317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.767317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.767317 (E_RNA)
where:
Base-Base interactions energy: -115.646
where: short stacking energy: -53.904
Base-Backbone interact. energy: -0.249
local terms energy: -67.872371
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -11.411
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -13.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -201.661527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.661527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.661527 (E_RNA)
where:
Base-Base interactions energy: -127.223
where: short stacking energy: -56.455
Base-Backbone interact. energy: -0.195
local terms energy: -74.243314
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -18.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -92.743319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.743319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.743319 (E_RNA)
where:
Base-Base interactions energy: -34.073
where: short stacking energy: -24.589
Base-Backbone interact. energy: -0.243
local terms energy: -58.427350
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -10.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -79.633079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.633079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.633079 (E_RNA)
where:
Base-Base interactions energy: -28.483
where: short stacking energy: -12.869
Base-Backbone interact. energy: -0.297
local terms energy: -50.853659
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: 2.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -75.336492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.336492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.336492 (E_RNA)
where:
Base-Base interactions energy: -29.007
where: short stacking energy: -24.418
Base-Backbone interact. energy: -0.305
local terms energy: -46.024660
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -11.010
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: 3.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -74.828795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.828795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.828795 (E_RNA)
where:
Base-Base interactions energy: -20.338
where: short stacking energy: -16.245
Base-Backbone interact. energy: -0.005
local terms energy: -54.486211
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -17.845
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -7.358
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: 206
Temperature: 0.900000
Total energy: -221.103843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.103843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.103843 (E_RNA)
where:
Base-Base interactions energy: -148.055
where: short stacking energy: -66.773
Base-Backbone interact. energy: -0.122
local terms energy: -72.927469
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -19.728
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: 7
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -219.204344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.204344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.204344 (E_RNA)
where:
Base-Base interactions energy: -139.360
where: short stacking energy: -68.977
Base-Backbone interact. energy: -0.045
local terms energy: -79.799037
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -19.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -208.959249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.959249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.959249 (E_RNA)
where:
Base-Base interactions energy: -136.427
where: short stacking energy: -66.399
Base-Backbone interact. energy: -0.374
local terms energy: -72.157961
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -18.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -205.750794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.750794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.750794 (E_RNA)
where:
Base-Base interactions energy: -132.967
where: short stacking energy: -54.650
Base-Backbone interact. energy: -0.000
local terms energy: -72.783436
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -18.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -195.112994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.112994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.112994 (E_RNA)
where:
Base-Base interactions energy: -125.677
where: short stacking energy: -61.235
Base-Backbone interact. energy: -0.027
local terms energy: -69.409114
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -15.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -182.551409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.551409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.551409 (E_RNA)
where:
Base-Base interactions energy: -124.999
where: short stacking energy: -58.541
Base-Backbone interact. energy: -0.002
local terms energy: -57.550305
where:
bonds (distance) C4'-P energy: -9.126
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -15.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -92.575176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.575176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.575176 (E_RNA)
where:
Base-Base interactions energy: -38.251
where: short stacking energy: -36.284
Base-Backbone interact. energy: -0.142
local terms energy: -54.182511
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -9.462
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -10.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -87.458690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.458690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.458690 (E_RNA)
where:
Base-Base interactions energy: -35.431
where: short stacking energy: -35.431
Base-Backbone interact. energy: -0.037
local terms energy: -51.990496
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -8.249
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: 9, replica: 8
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -80.796823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.796823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.796823 (E_RNA)
where:
Base-Base interactions energy: -23.799
where: short stacking energy: -23.799
Base-Backbone interact. energy: -0.029
local terms energy: -56.968622
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -11.298
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -1.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -83.157004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.157004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.157004 (E_RNA)
where:
Base-Base interactions energy: -27.923
where: short stacking energy: -27.923
Base-Backbone interact. energy: 0.104
local terms energy: -55.337669
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -1.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -226.118098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.118098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.118098 (E_RNA)
where:
Base-Base interactions energy: -144.706
where: short stacking energy: -74.557
Base-Backbone interact. energy: -0.005
local terms energy: -81.407269
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -20.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -230.998138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.998138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.998138 (E_RNA)
where:
Base-Base interactions energy: -155.933
where: short stacking energy: -69.980
Base-Backbone interact. energy: -0.080
local terms energy: -74.985281
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -20.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -212.946511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.946511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.946511 (E_RNA)
where:
Base-Base interactions energy: -147.527
where: short stacking energy: -65.031
Base-Backbone interact. energy: -0.030
local terms energy: -65.389225
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -5.297
tors. eta vs tors. theta energy: -20.398
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: 2
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -207.919601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.919601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.919601 (E_RNA)
where:
Base-Base interactions energy: -133.129
where: short stacking energy: -56.665
Base-Backbone interact. energy: -0.001
local terms energy: -74.789659
where:
bonds (distance) C4'-P energy: -14.150
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -16.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -212.546756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.546756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.546756 (E_RNA)
where:
Base-Base interactions energy: -139.835
where: short stacking energy: -64.726
Base-Backbone interact. energy: -0.228
local terms energy: -72.484618
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -16.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -198.610741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.610741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.610741 (E_RNA)
where:
Base-Base interactions energy: -133.299
where: short stacking energy: -53.021
Base-Backbone interact. energy: -0.005
local terms energy: -65.306663
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -17.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -119.822926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.822926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.822926 (E_RNA)
where:
Base-Base interactions energy: -69.771
where: short stacking energy: -33.933
Base-Backbone interact. energy: 3.871
local terms energy: -53.922375
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -4.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -76.737510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.737510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.737510 (E_RNA)
where:
Base-Base interactions energy: -26.468
where: short stacking energy: -23.754
Base-Backbone interact. energy: -0.241
local terms energy: -50.027874
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -9.283
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -6.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -79.293595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.293595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.293595 (E_RNA)
where:
Base-Base interactions energy: -26.654
where: short stacking energy: -26.654
Base-Backbone interact. energy: -0.216
local terms energy: -52.423359
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -6.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -70.459261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.459261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.459261 (E_RNA)
where:
Base-Base interactions energy: -19.200
where: short stacking energy: -18.940
Base-Backbone interact. energy: -0.219
local terms energy: -51.040073
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: -2.645
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: 1, replica: 5
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -225.868219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.868219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.868219 (E_RNA)
where:
Base-Base interactions energy: -148.252
where: short stacking energy: -68.532
Base-Backbone interact. energy: -0.057
local terms energy: -77.558571
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -22.215
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: 4
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -215.011260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.011260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.011260 (E_RNA)
where:
Base-Base interactions energy: -136.751
where: short stacking energy: -67.248
Base-Backbone interact. energy: -0.065
local terms energy: -78.195394
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -21.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -214.400231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.400231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.400231 (E_RNA)
where:
Base-Base interactions energy: -142.709
where: short stacking energy: -58.741
Base-Backbone interact. energy: 1.322
local terms energy: -73.013334
where:
bonds (distance) C4'-P energy: -8.754
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -19.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -200.648856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.648856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.648856 (E_RNA)
where:
Base-Base interactions energy: -133.578
where: short stacking energy: -56.804
Base-Backbone interact. energy: -0.003
local terms energy: -67.067083
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -15.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -204.554637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.554637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.554637 (E_RNA)
where:
Base-Base interactions energy: -126.399
where: short stacking energy: -60.931
Base-Backbone interact. energy: -0.002
local terms energy: -78.154037
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -19.610
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: 3
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -182.818122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.818122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.818122 (E_RNA)
where:
Base-Base interactions energy: -115.598
where: short stacking energy: -54.351
Base-Backbone interact. energy: 0.841
local terms energy: -68.060642
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -13.682
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -14.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -132.342969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.342969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.342969 (E_RNA)
where:
Base-Base interactions energy: -74.485
where: short stacking energy: -40.956
Base-Backbone interact. energy: -0.013
local terms energy: -57.845529
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -3.897
tors. eta vs tors. theta energy: -7.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -81.627872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.627872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.627872 (E_RNA)
where:
Base-Base interactions energy: -33.188
where: short stacking energy: -25.294
Base-Backbone interact. energy: -0.263
local terms energy: -48.177769
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -9.519
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -2.628
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: 208
Temperature: 1.300000
Total energy: -87.092146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.092146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.092146 (E_RNA)
where:
Base-Base interactions energy: -25.357
where: short stacking energy: -17.179
Base-Backbone interact. energy: -0.116
local terms energy: -61.618952
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -4.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -77.239754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.239754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.239754 (E_RNA)
where:
Base-Base interactions energy: -28.414
where: short stacking energy: -28.148
Base-Backbone interact. energy: -0.635
local terms energy: -48.190913
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -8.951
flat angles P-C4'-P energy: -5.675
tors. eta vs tors. theta energy: -2.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -220.514363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.514363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.514363 (E_RNA)
where:
Base-Base interactions energy: -139.393
where: short stacking energy: -67.511
Base-Backbone interact. energy: -0.056
local terms energy: -81.066223
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -22.508
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: 7
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -218.033284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.033284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.033284 (E_RNA)
where:
Base-Base interactions energy: -143.986
where: short stacking energy: -67.641
Base-Backbone interact. energy: -0.021
local terms energy: -74.026598
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -22.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -205.635211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.635211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.635211 (E_RNA)
where:
Base-Base interactions energy: -130.236
where: short stacking energy: -65.018
Base-Backbone interact. energy: -0.670
local terms energy: -74.729243
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -20.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -201.735882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.735882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.735882 (E_RNA)
where:
Base-Base interactions energy: -142.404
where: short stacking energy: -65.532
Base-Backbone interact. energy: -0.205
local terms energy: -59.126436
where:
bonds (distance) C4'-P energy: -8.865
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -5.343
tors. eta vs tors. theta energy: -16.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -195.587890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.587890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.587890 (E_RNA)
where:
Base-Base interactions energy: -130.039
where: short stacking energy: -63.017
Base-Backbone interact. energy: -0.039
local terms energy: -65.510223
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -15.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -201.044919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.044919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.044919 (E_RNA)
where:
Base-Base interactions energy: -135.109
where: short stacking energy: -66.799
Base-Backbone interact. energy: -0.003
local terms energy: -65.933074
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -10.544
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -19.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -92.045591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.045591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.045591 (E_RNA)
where:
Base-Base interactions energy: -40.419
where: short stacking energy: -40.419
Base-Backbone interact. energy: 0.113
local terms energy: -51.739688
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: -1.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -83.732883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.732883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.732883 (E_RNA)
where:
Base-Base interactions energy: -32.939
where: short stacking energy: -31.713
Base-Backbone interact. energy: -0.166
local terms energy: -50.628019
where:
bonds (distance) C4'-P energy: -9.629
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -4.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -77.550949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.550949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.550949 (E_RNA)
where:
Base-Base interactions energy: -29.836
where: short stacking energy: -28.257
Base-Backbone interact. energy: -0.762
local terms energy: -46.952918
where:
bonds (distance) C4'-P energy: -9.081
bonds (distance) P-C4' energy: -12.447
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: 0.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -85.013843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.013843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.013843 (E_RNA)
where:
Base-Base interactions energy: -40.043
where: short stacking energy: -40.043
Base-Backbone interact. energy: -0.011
local terms energy: -44.959753
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -4.861
tors. eta vs tors. theta energy: -6.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -223.303873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.303873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.303873 (E_RNA)
where:
Base-Base interactions energy: -142.445
where: short stacking energy: -64.638
Base-Backbone interact. energy: -0.002
local terms energy: -80.857169
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -18.621
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -19.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -219.894628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.894628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.894628 (E_RNA)
where:
Base-Base interactions energy: -147.858
where: short stacking energy: -61.505
Base-Backbone interact. energy: -0.094
local terms energy: -71.942699
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -12.337
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -18.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -213.196850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.196850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.196850 (E_RNA)
where:
Base-Base interactions energy: -139.548
where: short stacking energy: -64.316
Base-Backbone interact. energy: -0.185
local terms energy: -73.463618
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -20.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -198.561991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.561991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.561991 (E_RNA)
where:
Base-Base interactions energy: -127.154
where: short stacking energy: -63.286
Base-Backbone interact. energy: -0.038
local terms energy: -71.370078
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -16.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -195.423035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.423035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.423035 (E_RNA)
where:
Base-Base interactions energy: -126.240
where: short stacking energy: -50.331
Base-Backbone interact. energy: -0.040
local terms energy: -69.143584
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -11.100
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -19.088
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: 210
Temperature: 1.150000
Total energy: -210.308922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.308922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.308922 (E_RNA)
where:
Base-Base interactions energy: -142.006
where: short stacking energy: -61.041
Base-Backbone interact. energy: -0.034
local terms energy: -68.268626
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -17.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -91.748880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.748880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.748880 (E_RNA)
where:
Base-Base interactions energy: -37.456
where: short stacking energy: -27.027
Base-Backbone interact. energy: -0.274
local terms energy: -54.018789
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -4.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -88.306672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.306672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.306672 (E_RNA)
where:
Base-Base interactions energy: -40.316
where: short stacking energy: -34.369
Base-Backbone interact. energy: -0.086
local terms energy: -47.904415
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -9.872
flat angles C4'-P-C4' energy: -6.416
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -8.937
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: 8
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -80.644314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.644314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.644314 (E_RNA)
where:
Base-Base interactions energy: -28.682
where: short stacking energy: -28.682
Base-Backbone interact. energy: -0.043
local terms energy: -51.919191
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -12.731
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -6.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -77.604032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.604032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.604032 (E_RNA)
where:
Base-Base interactions energy: -26.204
where: short stacking energy: -26.204
Base-Backbone interact. energy: -0.155
local terms energy: -51.245749
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -7.404
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -2.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -227.331308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.331308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.331308 (E_RNA)
where:
Base-Base interactions energy: -154.093
where: short stacking energy: -67.602
Base-Backbone interact. energy: -0.018
local terms energy: -73.220673
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -17.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -216.969078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.969078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.969078 (E_RNA)
where:
Base-Base interactions energy: -137.332
where: short stacking energy: -65.205
Base-Backbone interact. energy: -0.018
local terms energy: -79.618946
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -21.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -200.462477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.462477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.462477 (E_RNA)
where:
Base-Base interactions energy: -127.303
where: short stacking energy: -62.763
Base-Backbone interact. energy: 1.422
local terms energy: -74.582035
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -20.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -200.341884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.341884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.341884 (E_RNA)
where:
Base-Base interactions energy: -135.002
where: short stacking energy: -58.725
Base-Backbone interact. energy: 1.215
local terms energy: -66.555082
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -15.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -197.778405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.778405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.778405 (E_RNA)
where:
Base-Base interactions energy: -128.768
where: short stacking energy: -65.248
Base-Backbone interact. energy: -0.077
local terms energy: -68.933459
where:
bonds (distance) C4'-P energy: -10.186
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -19.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -195.560549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.560549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.560549 (E_RNA)
where:
Base-Base interactions energy: -127.645
where: short stacking energy: -57.769
Base-Backbone interact. energy: -0.008
local terms energy: -67.907868
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -18.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -95.473132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.473132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.473132 (E_RNA)
where:
Base-Base interactions energy: -35.953
where: short stacking energy: -33.438
Base-Backbone interact. energy: -0.005
local terms energy: -59.514812
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -5.081
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: 8
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -80.468009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.468009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.468009 (E_RNA)
where:
Base-Base interactions energy: -34.369
where: short stacking energy: -27.799
Base-Backbone interact. energy: 1.308
local terms energy: -47.406742
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -0.534
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: 10
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -83.587181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.587181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.587181 (E_RNA)
where:
Base-Base interactions energy: -31.888
where: short stacking energy: -31.888
Base-Backbone interact. energy: -0.173
local terms energy: -51.525924
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -6.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -78.852848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.852848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.852848 (E_RNA)
where:
Base-Base interactions energy: -19.838
where: short stacking energy: -20.038
Base-Backbone interact. energy: -1.240
local terms energy: -57.775439
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -7.647
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -3.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -225.567365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.567365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.567365 (E_RNA)
where:
Base-Base interactions energy: -143.479
where: short stacking energy: -67.682
Base-Backbone interact. energy: -0.079
local terms energy: -82.009516
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -18.467
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -23.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -216.838211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.838211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.838211 (E_RNA)
where:
Base-Base interactions energy: -145.411
where: short stacking energy: -64.275
Base-Backbone interact. energy: -0.040
local terms energy: -71.386880
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -8.373
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -19.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -208.282293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.282293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.282293 (E_RNA)
where:
Base-Base interactions energy: -140.437
where: short stacking energy: -61.742
Base-Backbone interact. energy: -0.099
local terms energy: -67.745768
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -13.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -199.840811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.840811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.840811 (E_RNA)
where:
Base-Base interactions energy: -135.874
where: short stacking energy: -56.145
Base-Backbone interact. energy: -0.069
local terms energy: -63.898268
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -12.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -213.437008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.437008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.437008 (E_RNA)
where:
Base-Base interactions energy: -144.385
where: short stacking energy: -60.949
Base-Backbone interact. energy: -0.024
local terms energy: -69.027604
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -11.112
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -14.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -179.809375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.809375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.809375 (E_RNA)
where:
Base-Base interactions energy: -112.745
where: short stacking energy: -53.401
Base-Backbone interact. energy: -0.040
local terms energy: -67.024482
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -13.073
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: 8
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -87.293356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.293356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.293356 (E_RNA)
where:
Base-Base interactions energy: -38.654
where: short stacking energy: -31.107
Base-Backbone interact. energy: -0.018
local terms energy: -48.621397
where:
bonds (distance) C4'-P energy: -9.649
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -4.757
tors. eta vs tors. theta energy: -7.234
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: 9
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -86.011143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.011143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.011143 (E_RNA)
where:
Base-Base interactions energy: -32.404
where: short stacking energy: -32.404
Base-Backbone interact. energy: -0.029
local terms energy: -53.578943
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -4.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -82.424244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.424244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.424244 (E_RNA)
where:
Base-Base interactions energy: -37.249
where: short stacking energy: -37.249
Base-Backbone interact. energy: -0.008
local terms energy: -45.166993
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -2.339
tors. eta vs tors. theta energy: -4.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -75.830441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.830441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.830441 (E_RNA)
where:
Base-Base interactions energy: -22.584
where: short stacking energy: -20.275
Base-Backbone interact. energy: -0.200
local terms energy: -53.046465
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -10.941
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -1.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -224.736798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.736798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.736798 (E_RNA)
where:
Base-Base interactions energy: -144.596
where: short stacking energy: -65.702
Base-Backbone interact. energy: -0.044
local terms energy: -80.096671
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -23.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -218.564117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.564117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.564117 (E_RNA)
where:
Base-Base interactions energy: -144.879
where: short stacking energy: -69.310
Base-Backbone interact. energy: -0.003
local terms energy: -73.681652
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -19.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -185.716419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.716419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.716419 (E_RNA)
where:
Base-Base interactions energy: -119.945
where: short stacking energy: -43.018
Base-Backbone interact. energy: -0.291
local terms energy: -65.480184
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -13.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -210.450007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.450007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.450007 (E_RNA)
where:
Base-Base interactions energy: -132.080
where: short stacking energy: -57.305
Base-Backbone interact. energy: -0.037
local terms energy: -78.333406
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -19.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -189.980255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.980255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.980255 (E_RNA)
where:
Base-Base interactions energy: -123.438
where: short stacking energy: -58.858
Base-Backbone interact. energy: -0.020
local terms energy: -66.522146
where:
bonds (distance) C4'-P energy: -9.914
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -16.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -185.347602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.347602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.347602 (E_RNA)
where:
Base-Base interactions energy: -123.080
where: short stacking energy: -55.204
Base-Backbone interact. energy: 0.194
local terms energy: -62.460980
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -10.231
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -14.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -109.035248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.035248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.035248 (E_RNA)
where:
Base-Base interactions energy: -60.631
where: short stacking energy: -29.899
Base-Backbone interact. energy: -0.600
local terms energy: -47.804240
where:
bonds (distance) C4'-P energy: -8.415
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -3.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -84.377549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.377549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.377549 (E_RNA)
where:
Base-Base interactions energy: -26.634
where: short stacking energy: -19.708
Base-Backbone interact. energy: -0.131
local terms energy: -57.612920
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -1.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -75.413359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.413359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.413359 (E_RNA)
where:
Base-Base interactions energy: -27.273
where: short stacking energy: -25.857
Base-Backbone interact. energy: -0.631
local terms energy: -47.509395
where:
bonds (distance) C4'-P energy: -8.794
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -5.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -94.328356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.328356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.328356 (E_RNA)
where:
Base-Base interactions energy: -44.552
where: short stacking energy: -24.938
Base-Backbone interact. energy: -0.073
local terms energy: -49.702753
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -4.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -226.066104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.066104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.066104 (E_RNA)
where:
Base-Base interactions energy: -152.607
where: short stacking energy: -68.205
Base-Backbone interact. energy: -0.004
local terms energy: -73.454616
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -15.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -210.177456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.177456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.177456 (E_RNA)
where:
Base-Base interactions energy: -144.688
where: short stacking energy: -66.333
Base-Backbone interact. energy: -0.008
local terms energy: -65.481251
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -16.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -213.629234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.629234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.629234 (E_RNA)
where:
Base-Base interactions energy: -139.735
where: short stacking energy: -66.147
Base-Backbone interact. energy: -0.043
local terms energy: -73.851364
where:
bonds (distance) C4'-P energy: -10.253
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -19.683
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: 4
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -193.378162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.378162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.378162 (E_RNA)
where:
Base-Base interactions energy: -133.038
where: short stacking energy: -65.809
Base-Backbone interact. energy: 1.378
local terms energy: -61.717777
where:
bonds (distance) C4'-P energy: -11.222
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -5.143
tors. eta vs tors. theta energy: -17.737
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: 5, replica: 2
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -194.774848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.774848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.774848 (E_RNA)
where:
Base-Base interactions energy: -126.295
where: short stacking energy: -47.911
Base-Backbone interact. energy: -0.097
local terms energy: -68.383177
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -16.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -183.570808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.570808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.570808 (E_RNA)
where:
Base-Base interactions energy: -119.770
where: short stacking energy: -51.444
Base-Backbone interact. energy: -0.161
local terms energy: -63.639994
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -5.401
tors. eta vs tors. theta energy: -17.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -94.019734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.019734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.019734 (E_RNA)
where:
Base-Base interactions energy: -35.301
where: short stacking energy: -31.049
Base-Backbone interact. energy: -0.127
local terms energy: -58.591721
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -8.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -85.132073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.132073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.132073 (E_RNA)
where:
Base-Base interactions energy: -45.319
where: short stacking energy: -24.412
Base-Backbone interact. energy: -0.197
local terms energy: -39.615865
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -10.494
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -4.805
tors. eta vs tors. theta energy: 2.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -72.819496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.819496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.819496 (E_RNA)
where:
Base-Base interactions energy: -19.419
where: short stacking energy: -17.586
Base-Backbone interact. energy: -0.112
local terms energy: -53.288370
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -8.219
flat angles P-C4'-P energy: -12.192
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: 10, replica: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -80.138202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.138202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.138202 (E_RNA)
where:
Base-Base interactions energy: -35.878
where: short stacking energy: -30.419
Base-Backbone interact. energy: -0.076
local terms energy: -44.184642
where:
bonds (distance) C4'-P energy: -6.097
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -0.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -219.360102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.360102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.360102 (E_RNA)
where:
Base-Base interactions energy: -146.337
where: short stacking energy: -62.219
Base-Backbone interact. energy: 2.656
local terms energy: -75.679894
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: -17.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -218.709277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.709277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.709277 (E_RNA)
where:
Base-Base interactions energy: -144.383
where: short stacking energy: -62.102
Base-Backbone interact. energy: -0.026
local terms energy: -74.300895
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -19.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -205.934373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.934373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.934373 (E_RNA)
where:
Base-Base interactions energy: -133.947
where: short stacking energy: -59.520
Base-Backbone interact. energy: -0.088
local terms energy: -71.899170
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -16.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -184.824644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.824644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.824644 (E_RNA)
where:
Base-Base interactions energy: -120.832
where: short stacking energy: -51.881
Base-Backbone interact. energy: -0.914
local terms energy: -63.078927
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -5.263
tors. eta vs tors. theta energy: -15.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -200.768597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.768597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.768597 (E_RNA)
where:
Base-Base interactions energy: -138.613
where: short stacking energy: -64.013
Base-Backbone interact. energy: -0.157
local terms energy: -61.998082
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -9.587
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -21.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -200.874382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.874382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.874382 (E_RNA)
where:
Base-Base interactions energy: -127.654
where: short stacking energy: -56.801
Base-Backbone interact. energy: -0.110
local terms energy: -73.110530
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -16.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -86.601836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.601836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.601836 (E_RNA)
where:
Base-Base interactions energy: -35.462
where: short stacking energy: -31.878
Base-Backbone interact. energy: -0.457
local terms energy: -50.682960
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -9.901
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: 8, replica: 8
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -87.746861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.746861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.746861 (E_RNA)
where:
Base-Base interactions energy: -40.012
where: short stacking energy: -18.411
Base-Backbone interact. energy: 0.109
local terms energy: -47.843375
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -4.274
tors. eta vs tors. theta energy: -1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -87.575630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.575630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.575630 (E_RNA)
where:
Base-Base interactions energy: -35.510
where: short stacking energy: -22.902
Base-Backbone interact. energy: -0.121
local terms energy: -51.944496
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -0.620
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: 10, replica: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -76.395546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.395546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.395546 (E_RNA)
where:
Base-Base interactions energy: -24.981
where: short stacking energy: -24.964
Base-Backbone interact. energy: -0.931
local terms energy: -50.484188
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -1.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -234.003082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.003082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.003082 (E_RNA)
where:
Base-Base interactions energy: -159.147
where: short stacking energy: -65.502
Base-Backbone interact. energy: -0.423
local terms energy: -74.432454
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -19.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -217.968981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.968981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.968981 (E_RNA)
where:
Base-Base interactions energy: -144.576
where: short stacking energy: -66.260
Base-Backbone interact. energy: -0.001
local terms energy: -73.391678
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -18.398
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: 5
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -218.736573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.736573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.736573 (E_RNA)
where:
Base-Base interactions energy: -143.681
where: short stacking energy: -64.551
Base-Backbone interact. energy: -0.651
local terms energy: -74.404994
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -20.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -182.016666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.016666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.016666 (E_RNA)
where:
Base-Base interactions energy: -116.078
where: short stacking energy: -55.272
Base-Backbone interact. energy: -0.011
local terms energy: -65.927720
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -12.788
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -18.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -210.359772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.359772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.359772 (E_RNA)
where:
Base-Base interactions energy: -140.851
where: short stacking energy: -61.267
Base-Backbone interact. energy: -0.020
local terms energy: -69.488713
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -19.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -173.383921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.383921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.383921 (E_RNA)
where:
Base-Base interactions energy: -109.002
where: short stacking energy: -48.133
Base-Backbone interact. energy: -0.094
local terms energy: -64.287834
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -16.052
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -8.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -86.977123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.977123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.977123 (E_RNA)
where:
Base-Base interactions energy: -35.048
where: short stacking energy: -35.048
Base-Backbone interact. energy: -0.026
local terms energy: -51.903877
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -7.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -77.374673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.374673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.374673 (E_RNA)
where:
Base-Base interactions energy: -25.736
where: short stacking energy: -24.923
Base-Backbone interact. energy: -0.395
local terms energy: -51.243394
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -5.326
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: 9, replica: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -81.840381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.840381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.840381 (E_RNA)
where:
Base-Base interactions energy: -24.830
where: short stacking energy: -23.061
Base-Backbone interact. energy: 0.397
local terms energy: -57.407483
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -1.763
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: 10, replica: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -86.383659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.383659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.383659 (E_RNA)
where:
Base-Base interactions energy: -30.752
where: short stacking energy: -29.191
Base-Backbone interact. energy: -0.957
local terms energy: -54.674495
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -6.777
tors. eta vs tors. theta energy: -6.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -225.365729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.365729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.365729 (E_RNA)
where:
Base-Base interactions energy: -148.440
where: short stacking energy: -70.634
Base-Backbone interact. energy: -0.005
local terms energy: -76.919934
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -21.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -219.316645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.316645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.316645 (E_RNA)
where:
Base-Base interactions energy: -143.773
where: short stacking energy: -66.880
Base-Backbone interact. energy: -0.064
local terms energy: -75.479514
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -21.428
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: 3, replica: 5
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -218.416305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.416305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.416305 (E_RNA)
where:
Base-Base interactions energy: -145.495
where: short stacking energy: -57.900
Base-Backbone interact. energy: 0.689
local terms energy: -73.609572
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -17.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -201.422489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.422489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.422489 (E_RNA)
where:
Base-Base interactions energy: -122.719
where: short stacking energy: -56.954
Base-Backbone interact. energy: -0.027
local terms energy: -78.676641
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -16.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -175.249405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.249405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.249405 (E_RNA)
where:
Base-Base interactions energy: -126.033
where: short stacking energy: -52.461
Base-Backbone interact. energy: -0.138
local terms energy: -49.078344
where:
bonds (distance) C4'-P energy: -8.778
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -8.972
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -9.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -178.167972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.167972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.167972 (E_RNA)
where:
Base-Base interactions energy: -117.110
where: short stacking energy: -49.369
Base-Backbone interact. energy: -0.060
local terms energy: -60.997965
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -9.498
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: 217
Temperature: 1.200000
Total energy: -87.324124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.324124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.324124 (E_RNA)
where:
Base-Base interactions energy: -34.495
where: short stacking energy: -33.571
Base-Backbone interact. energy: -0.116
local terms energy: -52.713076
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -2.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -82.773802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.773802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.773802 (E_RNA)
where:
Base-Base interactions energy: -30.652
where: short stacking energy: -20.554
Base-Backbone interact. energy: -0.026
local terms energy: -52.095427
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -10.142
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -5.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -70.581984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.581984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.581984 (E_RNA)
where:
Base-Base interactions energy: -19.835
where: short stacking energy: -20.257
Base-Backbone interact. energy: -0.064
local terms energy: -50.682986
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: 0.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -72.670034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.670034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.670034 (E_RNA)
where:
Base-Base interactions energy: -30.854
where: short stacking energy: -25.870
Base-Backbone interact. energy: -0.987
local terms energy: -40.829215
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -1.886
tors. eta vs tors. theta energy: 0.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -227.045791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.045791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.045791 (E_RNA)
where:
Base-Base interactions energy: -152.858
where: short stacking energy: -63.557
Base-Backbone interact. energy: -0.005
local terms energy: -74.183261
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -19.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -219.450123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.450123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.450123 (E_RNA)
where:
Base-Base interactions energy: -144.822
where: short stacking energy: -67.525
Base-Backbone interact. energy: -0.064
local terms energy: -74.564157
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -17.691
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -19.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -215.268022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.268022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.268022 (E_RNA)
where:
Base-Base interactions energy: -141.612
where: short stacking energy: -71.876
Base-Backbone interact. energy: -0.000
local terms energy: -73.655676
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -21.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -211.341987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.341987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.341987 (E_RNA)
where:
Base-Base interactions energy: -139.159
where: short stacking energy: -61.344
Base-Backbone interact. energy: -0.141
local terms energy: -72.042115
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -17.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -191.765059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.765059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.765059 (E_RNA)
where:
Base-Base interactions energy: -127.808
where: short stacking energy: -56.565
Base-Backbone interact. energy: -0.066
local terms energy: -63.890847
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -6.866
tors. eta vs tors. theta energy: -14.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -137.048702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.048702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.048702 (E_RNA)
where:
Base-Base interactions energy: -84.938
where: short stacking energy: -39.509
Base-Backbone interact. energy: -0.050
local terms energy: -52.060530
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -6.887
tors. eta vs tors. theta energy: -3.759
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: 8
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -91.336856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.336856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.336856 (E_RNA)
where:
Base-Base interactions energy: -39.794
where: short stacking energy: -32.087
Base-Backbone interact. energy: -0.007
local terms energy: -51.535799
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -15.232
flat angles C4'-P-C4' energy: -9.810
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -2.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -87.039099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.039099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.039099 (E_RNA)
where:
Base-Base interactions energy: -35.807
where: short stacking energy: -29.849
Base-Backbone interact. energy: 3.394
local terms energy: -54.626125
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -11.256
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: 9, replica: 9
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -86.607173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.607173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.607173 (E_RNA)
where:
Base-Base interactions energy: -41.061
where: short stacking energy: -15.055
Base-Backbone interact. energy: 1.364
local terms energy: -46.910979
where:
bonds (distance) C4'-P energy: -9.123
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -9.560
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -4.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -79.638617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.638617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.638617 (E_RNA)
where:
Base-Base interactions energy: -36.021
where: short stacking energy: -24.532
Base-Backbone interact. energy: -0.325
local terms energy: -43.293328
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -10.334
flat angles C4'-P-C4' energy: -7.978
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -1.146
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: 1, replica: 7
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -225.783456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.783456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.783456 (E_RNA)
where:
Base-Base interactions energy: -151.678
where: short stacking energy: -74.700
Base-Backbone interact. energy: -0.032
local terms energy: -74.073603
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -21.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -222.487049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.487049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.487049 (E_RNA)
where:
Base-Base interactions energy: -149.724
where: short stacking energy: -61.973
Base-Backbone interact. energy: -0.120
local terms energy: -72.642737
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -11.041
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -21.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -212.940576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.940576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.940576 (E_RNA)
where:
Base-Base interactions energy: -136.629
where: short stacking energy: -65.775
Base-Backbone interact. energy: -0.430
local terms energy: -75.882008
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -21.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -197.649938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.649938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.649938 (E_RNA)
where:
Base-Base interactions energy: -123.368
where: short stacking energy: -56.278
Base-Backbone interact. energy: -0.094
local terms energy: -74.187382
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -17.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -207.287070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.287070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.287070 (E_RNA)
where:
Base-Base interactions energy: -139.616
where: short stacking energy: -61.846
Base-Backbone interact. energy: -0.052
local terms energy: -67.619050
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -17.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -142.084281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.084281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.084281 (E_RNA)
where:
Base-Base interactions energy: -85.536
where: short stacking energy: -48.759
Base-Backbone interact. energy: -0.009
local terms energy: -56.539806
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -4.827
tors. eta vs tors. theta energy: -11.945
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: 8
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -92.993977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.993977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.993977 (E_RNA)
where:
Base-Base interactions energy: -41.404
where: short stacking energy: -40.332
Base-Backbone interact. energy: -0.093
local terms energy: -51.496699
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -11.705
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: -7.089
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: 219
Temperature: 1.250000
Total energy: -95.097269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.097269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.097269 (E_RNA)
where:
Base-Base interactions energy: -44.164
where: short stacking energy: -38.745
Base-Backbone interact. energy: -0.112
local terms energy: -50.821652
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -11.515
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -3.175
tors. eta vs tors. theta energy: -4.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -80.621536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.621536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.621536 (E_RNA)
where:
Base-Base interactions energy: -30.296
where: short stacking energy: -27.633
Base-Backbone interact. energy: -0.275
local terms energy: -50.049772
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -9.828
flat angles P-C4'-P energy: -6.175
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: 1
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -77.747199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.747199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.747199 (E_RNA)
where:
Base-Base interactions energy: -23.637
where: short stacking energy: -23.637
Base-Backbone interact. energy: 1.615
local terms energy: -55.724558
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -3.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -235.128543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.128543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.128543 (E_RNA)
where:
Base-Base interactions energy: -159.034
where: short stacking energy: -67.636
Base-Backbone interact. energy: -0.088
local terms energy: -76.006038
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -13.576
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -15.179
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: 2, replica: 7
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -220.396541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.396541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.396541 (E_RNA)
where:
Base-Base interactions energy: -143.010
where: short stacking energy: -64.605
Base-Backbone interact. energy: -0.281
local terms energy: -77.105388
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -18.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -213.487886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.487886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.487886 (E_RNA)
where:
Base-Base interactions energy: -147.450
where: short stacking energy: -61.127
Base-Backbone interact. energy: -0.017
local terms energy: -66.020750
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -19.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -209.821522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.821522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.821522 (E_RNA)
where:
Base-Base interactions energy: -137.333
where: short stacking energy: -65.466
Base-Backbone interact. energy: -0.021
local terms energy: -72.467681
where:
bonds (distance) C4'-P energy: -9.244
bonds (distance) P-C4' energy: -13.062
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -21.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -182.037132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.037132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.037132 (E_RNA)
where:
Base-Base interactions energy: -116.750
where: short stacking energy: -51.140
Base-Backbone interact. energy: -0.112
local terms energy: -65.175888
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -14.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -167.834013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.834013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.834013 (E_RNA)
where:
Base-Base interactions energy: -112.450
where: short stacking energy: -49.718
Base-Backbone interact. energy: -0.138
local terms energy: -55.246334
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -11.446
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: 9
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -88.106862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.106862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.106862 (E_RNA)
where:
Base-Base interactions energy: -37.822
where: short stacking energy: -36.895
Base-Backbone interact. energy: -0.161
local terms energy: -50.123317
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -9.866
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -6.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -79.879587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.879587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.879587 (E_RNA)
where:
Base-Base interactions energy: -26.878
where: short stacking energy: -26.878
Base-Backbone interact. energy: 0.051
local terms energy: -53.052194
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -9.387
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -75.708391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.708391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.708391 (E_RNA)
where:
Base-Base interactions energy: -30.306
where: short stacking energy: -23.552
Base-Backbone interact. energy: -0.124
local terms energy: -45.278502
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -3.989
tors. eta vs tors. theta energy: -0.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -79.599413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.599413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.599413 (E_RNA)
where:
Base-Base interactions energy: -40.056
where: short stacking energy: -30.755
Base-Backbone interact. energy: -0.096
local terms energy: -39.446871
where:
bonds (distance) C4'-P energy: -8.170
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -9.597
flat angles P-C4'-P energy: -4.190
tors. eta vs tors. theta energy: -4.232
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: 1, replica: 3
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -226.945987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.945987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.945987 (E_RNA)
where:
Base-Base interactions energy: -147.543
where: short stacking energy: -62.465
Base-Backbone interact. energy: -0.003
local terms energy: -79.399570
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -17.974
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -20.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -218.229153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.229153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.229153 (E_RNA)
where:
Base-Base interactions energy: -146.874
where: short stacking energy: -69.371
Base-Backbone interact. energy: 1.815
local terms energy: -73.170490
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -19.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -221.382630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.382630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.382630 (E_RNA)
where:
Base-Base interactions energy: -147.840
where: short stacking energy: -64.208
Base-Backbone interact. energy: -0.179
local terms energy: -73.363863
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -18.507
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: 6
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -214.396121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.396121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.396121 (E_RNA)
where:
Base-Base interactions energy: -144.279
where: short stacking energy: -70.363
Base-Backbone interact. energy: -0.129
local terms energy: -69.987997
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -18.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -178.547386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.547386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.547386 (E_RNA)
where:
Base-Base interactions energy: -116.010
where: short stacking energy: -52.771
Base-Backbone interact. energy: -0.009
local terms energy: -62.527584
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -10.042
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -17.612
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: 4
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -144.986837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.986837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.986837 (E_RNA)
where:
Base-Base interactions energy: -83.769
where: short stacking energy: -38.833
Base-Backbone interact. energy: -0.023
local terms energy: -61.195134
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -12.731
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -9.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -86.277461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.277461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.277461 (E_RNA)
where:
Base-Base interactions energy: -37.049
where: short stacking energy: -30.146
Base-Backbone interact. energy: -0.199
local terms energy: -49.028905
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -9.763
flat angles C4'-P-C4' energy: -7.352
flat angles P-C4'-P energy: -12.703
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: 8, replica: 1
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -86.727103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.727103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.727103 (E_RNA)
where:
Base-Base interactions energy: -39.625
where: short stacking energy: -19.664
Base-Backbone interact. energy: -0.422
local terms energy: -46.680321
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -12.030
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -1.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -101.162691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.162691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.162691 (E_RNA)
where:
Base-Base interactions energy: -49.472
where: short stacking energy: -34.882
Base-Backbone interact. energy: -0.121
local terms energy: -51.569334
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -9.923
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -5.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -84.183659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.183659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.183659 (E_RNA)
where:
Base-Base interactions energy: -29.139
where: short stacking energy: -29.139
Base-Backbone interact. energy: -0.302
local terms energy: -54.742535
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -5.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -222.567985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.567985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.567985 (E_RNA)
where:
Base-Base interactions energy: -143.215
where: short stacking energy: -63.872
Base-Backbone interact. energy: -0.645
local terms energy: -78.708163
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -14.746
tors. eta vs tors. theta energy: -20.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -219.074846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.074846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.074846 (E_RNA)
where:
Base-Base interactions energy: -144.675
where: short stacking energy: -63.084
Base-Backbone interact. energy: -0.100
local terms energy: -74.299747
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -18.132
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -18.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -222.222045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.222045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.222045 (E_RNA)
where:
Base-Base interactions energy: -146.056
where: short stacking energy: -63.848
Base-Backbone interact. energy: -0.030
local terms energy: -76.136420
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -18.834
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -19.458
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: 2
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -208.504425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.504425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.504425 (E_RNA)
where:
Base-Base interactions energy: -138.589
where: short stacking energy: -59.855
Base-Backbone interact. energy: 0.166
local terms energy: -70.081140
where:
bonds (distance) C4'-P energy: -9.864
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -22.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -167.768305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.768305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.768305 (E_RNA)
where:
Base-Base interactions energy: -101.601
where: short stacking energy: -49.167
Base-Backbone interact. energy: -0.015
local terms energy: -66.151993
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -14.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -167.485608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.485608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.485608 (E_RNA)
where:
Base-Base interactions energy: -100.776
where: short stacking energy: -39.855
Base-Backbone interact. energy: -0.769
local terms energy: -65.941026
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -16.552
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -11.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -80.986173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.986173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.986173 (E_RNA)
where:
Base-Base interactions energy: -31.986
where: short stacking energy: -31.266
Base-Backbone interact. energy: -0.042
local terms energy: -48.958236
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -5.597
tors. eta vs tors. theta energy: -4.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -83.007527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.007527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.007527 (E_RNA)
where:
Base-Base interactions energy: -20.841
where: short stacking energy: -20.841
Base-Backbone interact. energy: -0.324
local terms energy: -61.842077
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -5.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -81.768938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.768938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.768938 (E_RNA)
where:
Base-Base interactions energy: -32.983
where: short stacking energy: -24.404
Base-Backbone interact. energy: -0.134
local terms energy: -48.651777
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -6.147
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -3.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -79.141446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.141446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.141446 (E_RNA)
where:
Base-Base interactions energy: -35.148
where: short stacking energy: -27.625
Base-Backbone interact. energy: -0.330
local terms energy: -43.663005
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: 1.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -232.078891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.078891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.078891 (E_RNA)
where:
Base-Base interactions energy: -154.020
where: short stacking energy: -70.713
Base-Backbone interact. energy: -0.052
local terms energy: -78.006309
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -20.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -221.244436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.244436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.244436 (E_RNA)
where:
Base-Base interactions energy: -154.240
where: short stacking energy: -63.429
Base-Backbone interact. energy: -0.058
local terms energy: -66.946824
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -13.192
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -17.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -209.653326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.653326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.653326 (E_RNA)
where:
Base-Base interactions energy: -141.008
where: short stacking energy: -59.958
Base-Backbone interact. energy: 1.546
local terms energy: -70.191359
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -16.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -208.231572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.231572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.231572 (E_RNA)
where:
Base-Base interactions energy: -134.907
where: short stacking energy: -58.075
Base-Backbone interact. energy: 0.045
local terms energy: -73.369528
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -14.257
tors. eta vs tors. theta energy: -15.137
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: 4
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -167.777575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.777575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.777575 (E_RNA)
where:
Base-Base interactions energy: -110.158
where: short stacking energy: -51.331
Base-Backbone interact. energy: -0.052
local terms energy: -57.567661
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -6.118
tors. eta vs tors. theta energy: -9.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -97.869437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.869437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.869437 (E_RNA)
where:
Base-Base interactions energy: -39.574
where: short stacking energy: -39.574
Base-Backbone interact. energy: -0.154
local terms energy: -58.141381
where:
bonds (distance) C4'-P energy: -8.758
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -8.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -177.756549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.756549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.756549 (E_RNA)
where:
Base-Base interactions energy: -112.645
where: short stacking energy: -48.653
Base-Backbone interact. energy: -0.547
local terms energy: -64.564216
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -13.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -87.098526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.098526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.098526 (E_RNA)
where:
Base-Base interactions energy: -35.288
where: short stacking energy: -23.974
Base-Backbone interact. energy: 0.101
local terms energy: -51.912123
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -8.015
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -3.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -79.113060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.113060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.113060 (E_RNA)
where:
Base-Base interactions energy: -32.689
where: short stacking energy: -31.757
Base-Backbone interact. energy: -0.065
local terms energy: -46.358745
where:
bonds (distance) C4'-P energy: -8.143
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -10.905
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -6.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -73.958261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.958261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.958261 (E_RNA)
where:
Base-Base interactions energy: -19.997
where: short stacking energy: -17.473
Base-Backbone interact. energy: -0.710
local terms energy: -53.250964
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -0.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -226.234107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.234107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.234107 (E_RNA)
where:
Base-Base interactions energy: -148.939
where: short stacking energy: -66.111
Base-Backbone interact. energy: -0.004
local terms energy: -77.290292
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -18.487
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: 7
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -219.539276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.539276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.539276 (E_RNA)
where:
Base-Base interactions energy: -140.977
where: short stacking energy: -71.521
Base-Backbone interact. energy: -0.042
local terms energy: -78.520540
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -21.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -202.829405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.829405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.829405 (E_RNA)
where:
Base-Base interactions energy: -127.624
where: short stacking energy: -59.732
Base-Backbone interact. energy: -0.004
local terms energy: -75.202181
where:
bonds (distance) C4'-P energy: -17.965
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -16.475
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: 3
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -209.631675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.631675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.631675 (E_RNA)
where:
Base-Base interactions energy: -140.856
where: short stacking energy: -60.107
Base-Backbone interact. energy: -0.134
local terms energy: -68.641727
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -16.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -168.884123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.884123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.884123 (E_RNA)
where:
Base-Base interactions energy: -112.965
where: short stacking energy: -50.614
Base-Backbone interact. energy: -0.161
local terms energy: -55.757762
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -10.201
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -10.736
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: 6, replica: 1
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -118.714320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.714320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.714320 (E_RNA)
where:
Base-Base interactions energy: -59.765
where: short stacking energy: -35.568
Base-Backbone interact. energy: -0.003
local terms energy: -58.946088
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -9.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -191.198221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.198221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.198221 (E_RNA)
where:
Base-Base interactions energy: -125.111
where: short stacking energy: -57.581
Base-Backbone interact. energy: -0.042
local terms energy: -66.045737
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -6.192
tors. eta vs tors. theta energy: -16.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -108.675391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.675391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.675391 (E_RNA)
where:
Base-Base interactions energy: -39.021
where: short stacking energy: -39.021
Base-Backbone interact. energy: -0.101
local terms energy: -69.553965
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -17.985
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -13.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -78.372879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.372879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.372879 (E_RNA)
where:
Base-Base interactions energy: -26.849
where: short stacking energy: -26.849
Base-Backbone interact. energy: -0.112
local terms energy: -51.411278
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -13.021
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: 224
Temperature: 1.350000
Total energy: -76.009110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.009110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.009110 (E_RNA)
where:
Base-Base interactions energy: -25.341
where: short stacking energy: -19.041
Base-Backbone interact. energy: -0.742
local terms energy: -49.925923
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -4.435
tors. eta vs tors. theta energy: -2.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -219.813180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.813180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.813180 (E_RNA)
where:
Base-Base interactions energy: -150.650
where: short stacking energy: -67.290
Base-Backbone interact. energy: -0.084
local terms energy: -69.079105
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -12.826
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -19.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -220.077739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.077739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.077739 (E_RNA)
where:
Base-Base interactions energy: -148.104
where: short stacking energy: -76.101
Base-Backbone interact. energy: -0.002
local terms energy: -71.971335
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -9.725
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -19.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -198.843467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.843467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.843467 (E_RNA)
where:
Base-Base interactions energy: -128.938
where: short stacking energy: -56.199
Base-Backbone interact. energy: -0.011
local terms energy: -69.894469
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -20.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -187.221117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.221117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.221117 (E_RNA)
where:
Base-Base interactions energy: -119.189
where: short stacking energy: -59.155
Base-Backbone interact. energy: -0.051
local terms energy: -67.980861
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -9.510
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -15.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -205.406495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.406495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.406495 (E_RNA)
where:
Base-Base interactions energy: -133.313
where: short stacking energy: -66.569
Base-Backbone interact. energy: -0.152
local terms energy: -71.940693
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -20.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -202.007695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.007695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.007695 (E_RNA)
where:
Base-Base interactions energy: -136.356
where: short stacking energy: -52.500
Base-Backbone interact. energy: 0.192
local terms energy: -65.843449
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -4.706
tors. eta vs tors. theta energy: -17.664
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: 7, replica: 1
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -80.170093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.170093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.170093 (E_RNA)
where:
Base-Base interactions energy: -28.961
where: short stacking energy: -25.796
Base-Backbone interact. energy: 3.332
local terms energy: -54.541294
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -10.291
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -4.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -82.199917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.199917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.199917 (E_RNA)
where:
Base-Base interactions energy: -29.045
where: short stacking energy: -20.782
Base-Backbone interact. energy: -0.091
local terms energy: -53.064199
where:
bonds (distance) C4'-P energy: -9.556
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -3.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -82.483750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.483750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.483750 (E_RNA)
where:
Base-Base interactions energy: -36.996
where: short stacking energy: -18.834
Base-Backbone interact. energy: -0.309
local terms energy: -45.178626
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -5.745
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -5.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -73.131351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.131351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.131351 (E_RNA)
where:
Base-Base interactions energy: -26.763
where: short stacking energy: -24.273
Base-Backbone interact. energy: 0.012
local terms energy: -46.380510
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -9.620
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -5.965
tors. eta vs tors. theta energy: -1.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -226.095796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.095796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.095796 (E_RNA)
where:
Base-Base interactions energy: -144.473
where: short stacking energy: -74.195
Base-Backbone interact. energy: 1.881
local terms energy: -83.504408
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -21.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -218.641669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.641669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.641669 (E_RNA)
where:
Base-Base interactions energy: -140.421
where: short stacking energy: -60.392
Base-Backbone interact. energy: 0.390
local terms energy: -78.610830
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -18.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -207.478275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.478275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.478275 (E_RNA)
where:
Base-Base interactions energy: -139.820
where: short stacking energy: -61.114
Base-Backbone interact. energy: -0.061
local terms energy: -67.597812
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -6.873
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -19.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -195.959856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.959856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.959856 (E_RNA)
where:
Base-Base interactions energy: -124.710
where: short stacking energy: -57.059
Base-Backbone interact. energy: -0.007
local terms energy: -71.241973
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -17.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -203.093489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.093489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.093489 (E_RNA)
where:
Base-Base interactions energy: -132.140
where: short stacking energy: -56.795
Base-Backbone interact. energy: 0.520
local terms energy: -71.474032
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -14.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -202.565277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.565277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.565277 (E_RNA)
where:
Base-Base interactions energy: -131.482
where: short stacking energy: -63.504
Base-Backbone interact. energy: -0.006
local terms energy: -71.077284
where:
bonds (distance) C4'-P energy: -9.180
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -16.596
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: 9
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -87.303318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.303318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.303318 (E_RNA)
where:
Base-Base interactions energy: -34.636
where: short stacking energy: -31.658
Base-Backbone interact. energy: 0.508
local terms energy: -53.175488
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -12.280
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -2.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -77.541669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.541669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.541669 (E_RNA)
where:
Base-Base interactions energy: -27.983
where: short stacking energy: -24.990
Base-Backbone interact. energy: -1.849
local terms energy: -47.709745
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -5.991
tors. eta vs tors. theta energy: -4.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -81.142243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.142243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.142243 (E_RNA)
where:
Base-Base interactions energy: -28.920
where: short stacking energy: -24.982
Base-Backbone interact. energy: -0.172
local terms energy: -52.050445
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: 0.361
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: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -88.236936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.236936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.236936 (E_RNA)
where:
Base-Base interactions energy: -47.130
where: short stacking energy: -22.182
Base-Backbone interact. energy: -0.174
local terms energy: -40.932955
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -2.790
tors. eta vs tors. theta energy: 4.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -221.309243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.309243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.309243 (E_RNA)
where:
Base-Base interactions energy: -146.711
where: short stacking energy: -60.867
Base-Backbone interact. energy: 0.563
local terms energy: -75.161496
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -13.082
tors. eta vs tors. theta energy: -17.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -206.171677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.171677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.171677 (E_RNA)
where:
Base-Base interactions energy: -138.006
where: short stacking energy: -60.472
Base-Backbone interact. energy: -0.124
local terms energy: -68.042591
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -15.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -214.844617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.844617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.844617 (E_RNA)
where:
Base-Base interactions energy: -138.980
where: short stacking energy: -66.634
Base-Backbone interact. energy: -0.022
local terms energy: -75.842937
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -17.742
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: 5
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -207.729045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.729045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.729045 (E_RNA)
where:
Base-Base interactions energy: -145.275
where: short stacking energy: -62.020
Base-Backbone interact. energy: -0.053
local terms energy: -62.401288
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -5.146
tors. eta vs tors. theta energy: -16.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -187.477437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.477437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.477437 (E_RNA)
where:
Base-Base interactions energy: -128.893
where: short stacking energy: -50.533
Base-Backbone interact. energy: -0.167
local terms energy: -58.418329
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -12.435
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -5.863
tors. eta vs tors. theta energy: -12.415
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: 3
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -176.317491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.317491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.317491 (E_RNA)
where:
Base-Base interactions energy: -117.578
where: short stacking energy: -54.131
Base-Backbone interact. energy: -0.114
local terms energy: -58.625725
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -9.906
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: -15.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -85.835171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.835171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.835171 (E_RNA)
where:
Base-Base interactions energy: -30.312
where: short stacking energy: -30.312
Base-Backbone interact. energy: -0.286
local terms energy: -55.236859
where:
bonds (distance) C4'-P energy: -9.188
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -8.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -81.737850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.737850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.737850 (E_RNA)
where:
Base-Base interactions energy: -34.353
where: short stacking energy: -30.723
Base-Backbone interact. energy: -0.109
local terms energy: -47.275419
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -6.024
tors. eta vs tors. theta energy: 0.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -80.333758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.333758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.333758 (E_RNA)
where:
Base-Base interactions energy: -26.646
where: short stacking energy: -25.758
Base-Backbone interact. energy: -0.260
local terms energy: -53.428068
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -5.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -72.691776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.691776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.691776 (E_RNA)
where:
Base-Base interactions energy: -29.485
where: short stacking energy: -21.130
Base-Backbone interact. energy: -0.012
local terms energy: -43.194632
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -9.897
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: 2.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -223.147843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.147843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.147843 (E_RNA)
where:
Base-Base interactions energy: -150.006
where: short stacking energy: -65.534
Base-Backbone interact. energy: -0.111
local terms energy: -73.031171
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -12.026
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -21.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -217.892433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.892433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.892433 (E_RNA)
where:
Base-Base interactions energy: -136.576
where: short stacking energy: -61.773
Base-Backbone interact. energy: 0.121
local terms energy: -81.437787
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -18.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -224.534686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.534686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.534686 (E_RNA)
where:
Base-Base interactions energy: -151.583
where: short stacking energy: -70.093
Base-Backbone interact. energy: -0.066
local terms energy: -72.885515
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -17.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -213.816895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.816895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.816895 (E_RNA)
where:
Base-Base interactions energy: -146.428
where: short stacking energy: -66.510
Base-Backbone interact. energy: -0.085
local terms energy: -67.304370
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -13.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -192.835785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.835785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.835785 (E_RNA)
where:
Base-Base interactions energy: -131.271
where: short stacking energy: -54.558
Base-Backbone interact. energy: -0.153
local terms energy: -61.411357
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -11.366
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -15.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -175.182628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.182628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.182628 (E_RNA)
where:
Base-Base interactions energy: -112.016
where: short stacking energy: -48.859
Base-Backbone interact. energy: -0.037
local terms energy: -63.129362
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -11.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -96.567521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.567521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.567521 (E_RNA)
where:
Base-Base interactions energy: -48.609
where: short stacking energy: -48.609
Base-Backbone interact. energy: -0.189
local terms energy: -47.769804
where:
bonds (distance) C4'-P energy: -6.360
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: -6.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -99.066133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.066133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.066133 (E_RNA)
where:
Base-Base interactions energy: -45.852
where: short stacking energy: -38.339
Base-Backbone interact. energy: -0.187
local terms energy: -53.026792
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -1.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -92.274536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.274536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.274536 (E_RNA)
where:
Base-Base interactions energy: -35.167
where: short stacking energy: -22.591
Base-Backbone interact. energy: -0.066
local terms energy: -57.041362
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -5.787
tors. eta vs tors. theta energy: -4.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -77.122824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.122824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.122824 (E_RNA)
where:
Base-Base interactions energy: -27.834
where: short stacking energy: -21.383
Base-Backbone interact. energy: 0.029
local terms energy: -49.317838
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -5.034
tors. eta vs tors. theta energy: -2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -226.116222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.116222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.116222 (E_RNA)
where:
Base-Base interactions energy: -150.675
where: short stacking energy: -70.668
Base-Backbone interact. energy: 0.512
local terms energy: -75.953834
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -21.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -218.738452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.738452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.738452 (E_RNA)
where:
Base-Base interactions energy: -141.868
where: short stacking energy: -65.959
Base-Backbone interact. energy: -0.460
local terms energy: -76.410343
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -18.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -208.103026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.103026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.103026 (E_RNA)
where:
Base-Base interactions energy: -137.993
where: short stacking energy: -61.544
Base-Backbone interact. energy: -0.002
local terms energy: -70.107791
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -14.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -204.989089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.989089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.989089 (E_RNA)
where:
Base-Base interactions energy: -131.940
where: short stacking energy: -66.063
Base-Backbone interact. energy: -0.005
local terms energy: -73.044064
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -17.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -205.106064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.106064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.106064 (E_RNA)
where:
Base-Base interactions energy: -140.210
where: short stacking energy: -64.242
Base-Backbone interact. energy: -0.001
local terms energy: -64.895195
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -8.866
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -17.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -192.136471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.136471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.136471 (E_RNA)
where:
Base-Base interactions energy: -128.206
where: short stacking energy: -54.504
Base-Backbone interact. energy: -0.043
local terms energy: -63.887807
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -12.354
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -16.609
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: 7, replica: 9
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -96.428131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.428131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.428131 (E_RNA)
where:
Base-Base interactions energy: -44.836
where: short stacking energy: -24.309
Base-Backbone interact. energy: -1.307
local terms energy: -50.285240
where:
bonds (distance) C4'-P energy: -12.071
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -2.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -89.152196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.152196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.152196 (E_RNA)
where:
Base-Base interactions energy: -33.374
where: short stacking energy: -31.670
Base-Backbone interact. energy: -0.057
local terms energy: -55.721735
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -5.763
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: 8
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -84.642205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.642205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.642205 (E_RNA)
where:
Base-Base interactions energy: -34.246
where: short stacking energy: -31.339
Base-Backbone interact. energy: -0.098
local terms energy: -50.298643
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -4.600
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -3.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -72.145409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.145409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.145409 (E_RNA)
where:
Base-Base interactions energy: -32.112
where: short stacking energy: -29.754
Base-Backbone interact. energy: 0.074
local terms energy: -40.107405
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -7.108
flat angles P-C4'-P energy: -2.021
tors. eta vs tors. theta energy: -0.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -222.856357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.856357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.856357 (E_RNA)
where:
Base-Base interactions energy: -147.736
where: short stacking energy: -63.333
Base-Backbone interact. energy: -0.041
local terms energy: -75.078591
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -20.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -219.618885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.618885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.618885 (E_RNA)
where:
Base-Base interactions energy: -149.797
where: short stacking energy: -65.558
Base-Backbone interact. energy: -0.103
local terms energy: -69.717983
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -5.198
tors. eta vs tors. theta energy: -22.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -215.975260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.975260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.975260 (E_RNA)
where:
Base-Base interactions energy: -147.868
where: short stacking energy: -64.364
Base-Backbone interact. energy: -0.024
local terms energy: -68.083762
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -16.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -205.515574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.515574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.515574 (E_RNA)
where:
Base-Base interactions energy: -132.928
where: short stacking energy: -57.860
Base-Backbone interact. energy: -0.003
local terms energy: -72.584918
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -16.027
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: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -199.310438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.310438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.310438 (E_RNA)
where:
Base-Base interactions energy: -134.767
where: short stacking energy: -63.961
Base-Backbone interact. energy: -0.037
local terms energy: -64.506866
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -12.490
flat angles C4'-P-C4' energy: -10.539
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -18.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -210.435612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.435612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.435612 (E_RNA)
where:
Base-Base interactions energy: -143.523
where: short stacking energy: -69.727
Base-Backbone interact. energy: -0.001
local terms energy: -66.912191
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -3.333
tors. eta vs tors. theta energy: -20.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -101.830725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.830725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.830725 (E_RNA)
where:
Base-Base interactions energy: -44.931
where: short stacking energy: -26.914
Base-Backbone interact. energy: -0.341
local terms energy: -56.558296
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -11.652
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -4.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -77.122083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.122083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.122083 (E_RNA)
where:
Base-Base interactions energy: -28.270
where: short stacking energy: -28.270
Base-Backbone interact. energy: 0.290
local terms energy: -49.142211
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -11.072
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -8.538
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: 9, replica: 10
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -78.590524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.590524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.590524 (E_RNA)
where:
Base-Base interactions energy: -26.994
where: short stacking energy: -26.046
Base-Backbone interact. energy: 2.087
local terms energy: -53.683647
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -9.579
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -2.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -82.746345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.746345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.746345 (E_RNA)
where:
Base-Base interactions energy: -33.542
where: short stacking energy: -32.526
Base-Backbone interact. energy: 0.536
local terms energy: -49.740233
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -7.504
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -4.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -222.553432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.553432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.553432 (E_RNA)
where:
Base-Base interactions energy: -149.333
where: short stacking energy: -74.033
Base-Backbone interact. energy: -0.174
local terms energy: -73.046449
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -11.290
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -18.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -221.019960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.019960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.019960 (E_RNA)
where:
Base-Base interactions energy: -150.961
where: short stacking energy: -73.036
Base-Backbone interact. energy: -0.081
local terms energy: -69.978292
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -20.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -210.981846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.981846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.981846 (E_RNA)
where:
Base-Base interactions energy: -138.995
where: short stacking energy: -63.309
Base-Backbone interact. energy: -0.975
local terms energy: -71.011439
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -11.115
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -18.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -207.833310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.833310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.833310 (E_RNA)
where:
Base-Base interactions energy: -142.447
where: short stacking energy: -65.938
Base-Backbone interact. energy: -0.007
local terms energy: -65.379287
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -10.734
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -17.701
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: 5, replica: 5
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -199.045142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.045142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.045142 (E_RNA)
where:
Base-Base interactions energy: -126.296
where: short stacking energy: -57.410
Base-Backbone interact. energy: -0.638
local terms energy: -72.111851
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -19.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -99.164617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.164617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.164617 (E_RNA)
where:
Base-Base interactions energy: -45.131
where: short stacking energy: -24.487
Base-Backbone interact. energy: -0.366
local terms energy: -53.667725
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -0.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -154.477857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.477857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.477857 (E_RNA)
where:
Base-Base interactions energy: -91.049
where: short stacking energy: -43.183
Base-Backbone interact. energy: -0.021
local terms energy: -63.407356
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -8.874
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -14.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -93.457834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.457834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.457834 (E_RNA)
where:
Base-Base interactions energy: -37.078
where: short stacking energy: -30.598
Base-Backbone interact. energy: -0.119
local terms energy: -56.260519
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: -6.699
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: 231
Temperature: 1.300000
Total energy: -64.675471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.675471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.675471 (E_RNA)
where:
Base-Base interactions energy: -17.795
where: short stacking energy: -16.525
Base-Backbone interact. energy: -0.296
local terms energy: -46.584735
where:
bonds (distance) C4'-P energy: -7.718
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -2.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -76.584943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.584943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.584943 (E_RNA)
where:
Base-Base interactions energy: -26.232
where: short stacking energy: -26.232
Base-Backbone interact. energy: -0.022
local terms energy: -50.330741
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -3.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -225.357259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.357259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.357259 (E_RNA)
where:
Base-Base interactions energy: -145.213
where: short stacking energy: -63.156
Base-Backbone interact. energy: -0.218
local terms energy: -79.926799
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -19.478
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: 232
Temperature: 0.950000
Total energy: -215.959526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.959526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.959526 (E_RNA)
where:
Base-Base interactions energy: -140.451
where: short stacking energy: -53.495
Base-Backbone interact. energy: -0.416
local terms energy: -75.092451
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -16.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -210.218077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.218077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.218077 (E_RNA)
where:
Base-Base interactions energy: -135.081
where: short stacking energy: -68.060
Base-Backbone interact. energy: -0.168
local terms energy: -74.968937
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -16.768
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: 4, replica: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -203.322956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.322956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.322956 (E_RNA)
where:
Base-Base interactions energy: -135.107
where: short stacking energy: -61.790
Base-Backbone interact. energy: 0.443
local terms energy: -68.658280
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -14.961
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: 5, replica: 5
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -186.823906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.823906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.823906 (E_RNA)
where:
Base-Base interactions energy: -116.879
where: short stacking energy: -54.504
Base-Backbone interact. energy: -0.009
local terms energy: -69.935669
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -14.724
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: 1
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -95.866886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.866886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.866886 (E_RNA)
where:
Base-Base interactions energy: -38.936
where: short stacking energy: -38.420
Base-Backbone interact. energy: -0.145
local terms energy: -56.785539
where:
bonds (distance) C4'-P energy: -8.518
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -8.619
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: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -153.133195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.133195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.133195 (E_RNA)
where:
Base-Base interactions energy: -97.203
where: short stacking energy: -32.412
Base-Backbone interact. energy: -0.969
local terms energy: -54.960649
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -11.163
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: -8.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -86.381996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.381996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.381996 (E_RNA)
where:
Base-Base interactions energy: -35.282
where: short stacking energy: -35.282
Base-Backbone interact. energy: 0.687
local terms energy: -51.786714
where:
bonds (distance) C4'-P energy: -17.795
bonds (distance) P-C4' energy: -9.450
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -2.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -87.948472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.948472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.948472 (E_RNA)
where:
Base-Base interactions energy: -35.286
where: short stacking energy: -18.388
Base-Backbone interact. energy: -0.524
local terms energy: -52.138205
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -10.731
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -1.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -74.565502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.565502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.565502 (E_RNA)
where:
Base-Base interactions energy: -30.027
where: short stacking energy: -29.062
Base-Backbone interact. energy: -0.402
local terms energy: -44.136776
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -9.141
flat angles C4'-P-C4' energy: -10.733
flat angles P-C4'-P energy: -5.073
tors. eta vs tors. theta energy: -5.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -230.604179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.604179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.604179 (E_RNA)
where:
Base-Base interactions energy: -149.608
where: short stacking energy: -73.407
Base-Backbone interact. energy: -0.002
local terms energy: -80.994290
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -14.944
tors. eta vs tors. theta energy: -18.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -216.984527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.984527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.984527 (E_RNA)
where:
Base-Base interactions energy: -145.827
where: short stacking energy: -73.355
Base-Backbone interact. energy: -0.091
local terms energy: -71.066557
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -19.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -212.085776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.085776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.085776 (E_RNA)
where:
Base-Base interactions energy: -140.654
where: short stacking energy: -61.487
Base-Backbone interact. energy: -0.005
local terms energy: -71.427480
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -14.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -187.137896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.137896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.137896 (E_RNA)
where:
Base-Base interactions energy: -126.896
where: short stacking energy: -65.261
Base-Backbone interact. energy: -0.014
local terms energy: -60.226987
where:
bonds (distance) C4'-P energy: -4.908
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -8.594
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: 5, replica: 2
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -186.543385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.543385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.543385 (E_RNA)
where:
Base-Base interactions energy: -123.260
where: short stacking energy: -58.079
Base-Backbone interact. energy: -0.011
local terms energy: -63.272117
where:
bonds (distance) C4'-P energy: -9.535
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -13.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -99.945456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.945456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.945456 (E_RNA)
where:
Base-Base interactions energy: -38.982
where: short stacking energy: -30.059
Base-Backbone interact. energy: -0.170
local terms energy: -60.793649
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -5.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -86.283667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.283667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.283667 (E_RNA)
where:
Base-Base interactions energy: -26.434
where: short stacking energy: -22.983
Base-Backbone interact. energy: 0.472
local terms energy: -60.321574
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -19.120
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -3.944
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: 8
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -81.186639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.186639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.186639 (E_RNA)
where:
Base-Base interactions energy: -34.172
where: short stacking energy: -30.640
Base-Backbone interact. energy: -0.075
local terms energy: -46.939439
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -6.627
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -1.297
tors. eta vs tors. theta energy: -9.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -93.172256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.172256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.172256 (E_RNA)
where:
Base-Base interactions energy: -31.972
where: short stacking energy: -31.920
Base-Backbone interact. energy: -0.006
local terms energy: -61.194171
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -10.076
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -12.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -76.445608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.445608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.445608 (E_RNA)
where:
Base-Base interactions energy: -26.315
where: short stacking energy: -23.647
Base-Backbone interact. energy: -0.019
local terms energy: -50.111077
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: -2.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -226.060959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.060959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.060959 (E_RNA)
where:
Base-Base interactions energy: -144.457
where: short stacking energy: -63.081
Base-Backbone interact. energy: -0.171
local terms energy: -81.432782
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -20.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -232.469660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.469660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.469660 (E_RNA)
where:
Base-Base interactions energy: -154.431
where: short stacking energy: -75.274
Base-Backbone interact. energy: -0.064
local terms energy: -77.974284
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -20.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -199.170119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.170119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.170119 (E_RNA)
where:
Base-Base interactions energy: -130.679
where: short stacking energy: -52.855
Base-Backbone interact. energy: -0.331
local terms energy: -68.159789
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -10.671
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -16.341
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: 4, replica: 4
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -208.903494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.903494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.903494 (E_RNA)
where:
Base-Base interactions energy: -143.117
where: short stacking energy: -61.508
Base-Backbone interact. energy: -0.078
local terms energy: -65.708373
where:
bonds (distance) C4'-P energy: -5.829
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -18.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -201.157862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.157862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.157862 (E_RNA)
where:
Base-Base interactions energy: -130.835
where: short stacking energy: -54.300
Base-Backbone interact. energy: -0.008
local terms energy: -70.314750
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -16.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -120.323028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.323028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.323028 (E_RNA)
where:
Base-Base interactions energy: -69.182
where: short stacking energy: -28.044
Base-Backbone interact. energy: -0.951
local terms energy: -50.189611
where:
bonds (distance) C4'-P energy: -7.057
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -5.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -91.244217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.244217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.244217 (E_RNA)
where:
Base-Base interactions energy: -44.493
where: short stacking energy: -33.577
Base-Backbone interact. energy: -0.213
local terms energy: -46.538883
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -8.930
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -1.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -88.694366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.694366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.694366 (E_RNA)
where:
Base-Base interactions energy: -43.749
where: short stacking energy: -36.750
Base-Backbone interact. energy: -1.108
local terms energy: -43.837067
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -9.513
flat angles P-C4'-P energy: -2.339
tors. eta vs tors. theta energy: -7.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -79.243161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.243161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.243161 (E_RNA)
where:
Base-Base interactions energy: -30.909
where: short stacking energy: -16.566
Base-Backbone interact. energy: -0.286
local terms energy: -48.048302
where:
bonds (distance) C4'-P energy: -9.159
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -2.397
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: 10
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -71.589854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.589854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.589854 (E_RNA)
where:
Base-Base interactions energy: -27.817
where: short stacking energy: -23.266
Base-Backbone interact. energy: 2.115
local terms energy: -45.888478
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -8.663
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -0.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -217.871765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.871765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.871765 (E_RNA)
where:
Base-Base interactions energy: -144.639
where: short stacking energy: -61.893
Base-Backbone interact. energy: -0.323
local terms energy: -72.908935
where:
bonds (distance) C4'-P energy: -9.437
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -22.384
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: 7
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -220.599903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.599903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.599903 (E_RNA)
where:
Base-Base interactions energy: -143.684
where: short stacking energy: -62.485
Base-Backbone interact. energy: -0.002
local terms energy: -76.913801
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -20.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -197.168876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.168876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.168876 (E_RNA)
where:
Base-Base interactions energy: -133.460
where: short stacking energy: -60.150
Base-Backbone interact. energy: -0.072
local terms energy: -63.637468
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -15.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -203.736301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.736301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.736301 (E_RNA)
where:
Base-Base interactions energy: -132.063
where: short stacking energy: -58.548
Base-Backbone interact. energy: -0.004
local terms energy: -71.669542
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -13.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -195.768204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.768204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.768204 (E_RNA)
where:
Base-Base interactions energy: -121.699
where: short stacking energy: -64.629
Base-Backbone interact. energy: -0.147
local terms energy: -73.922180
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -19.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -95.361975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.361975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.361975 (E_RNA)
where:
Base-Base interactions energy: -55.533
where: short stacking energy: -29.744
Base-Backbone interact. energy: -0.845
local terms energy: -38.984384
where:
bonds (distance) C4'-P energy: -9.788
bonds (distance) P-C4' energy: -7.798
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: 0.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -102.637554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.637554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.637554 (E_RNA)
where:
Base-Base interactions energy: -46.158
where: short stacking energy: -32.423
Base-Backbone interact. energy: -0.242
local terms energy: -56.237137
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -4.407
tors. eta vs tors. theta energy: -3.420
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: 9
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -83.799337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.799337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.799337 (E_RNA)
where:
Base-Base interactions energy: -36.206
where: short stacking energy: -18.416
Base-Backbone interact. energy: -0.207
local terms energy: -47.387047
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -10.247
flat angles P-C4'-P energy: -6.015
tors. eta vs tors. theta energy: 0.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -77.296499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.296499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.296499 (E_RNA)
where:
Base-Base interactions energy: -27.721
where: short stacking energy: -27.495
Base-Backbone interact. energy: 1.655
local terms energy: -51.230578
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -4.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -76.114492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.114492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.114492 (E_RNA)
where:
Base-Base interactions energy: -26.392
where: short stacking energy: -19.562
Base-Backbone interact. energy: -0.240
local terms energy: -49.482998
where:
bonds (distance) C4'-P energy: -8.757
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: 0.454
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: 1, replica: 3
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -216.450305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.450305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.450305 (E_RNA)
where:
Base-Base interactions energy: -149.021
where: short stacking energy: -60.980
Base-Backbone interact. energy: -0.104
local terms energy: -67.325897
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -11.416
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -16.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -221.848838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.848838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.848838 (E_RNA)
where:
Base-Base interactions energy: -144.404
where: short stacking energy: -63.433
Base-Backbone interact. energy: -0.019
local terms energy: -77.425780
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -13.192
tors. eta vs tors. theta energy: -17.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -198.780381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.780381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.780381 (E_RNA)
where:
Base-Base interactions energy: -123.085
where: short stacking energy: -62.886
Base-Backbone interact. energy: -0.101
local terms energy: -75.594442
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -17.671
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: 5
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -216.396517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.396517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.396517 (E_RNA)
where:
Base-Base interactions energy: -142.270
where: short stacking energy: -62.128
Base-Backbone interact. energy: -0.009
local terms energy: -74.117475
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -19.396
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: 236
Temperature: 1.100000
Total energy: -186.299801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.299801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.299801 (E_RNA)
where:
Base-Base interactions energy: -126.825
where: short stacking energy: -47.370
Base-Backbone interact. energy: 0.649
local terms energy: -60.123823
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -10.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -102.659850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.659850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.659850 (E_RNA)
where:
Base-Base interactions energy: -55.821
where: short stacking energy: -33.509
Base-Backbone interact. energy: -0.056
local terms energy: -46.783522
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -12.111
flat angles C4'-P-C4' energy: -9.230
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -2.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -96.121598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.121598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.121598 (E_RNA)
where:
Base-Base interactions energy: -39.101
where: short stacking energy: -39.101
Base-Backbone interact. energy: -0.397
local terms energy: -56.623852
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: -11.071
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: 8, replica: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -104.116075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.116075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.116075 (E_RNA)
where:
Base-Base interactions energy: -50.876
where: short stacking energy: -37.376
Base-Backbone interact. energy: -0.123
local terms energy: -53.117008
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -6.312
tors. eta vs tors. theta energy: -6.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -76.667068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.667068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.667068 (E_RNA)
where:
Base-Base interactions energy: -29.415
where: short stacking energy: -17.853
Base-Backbone interact. energy: 0.870
local terms energy: -48.122028
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -10.010
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: 1.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -71.697998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.697998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.697998 (E_RNA)
where:
Base-Base interactions energy: -26.952
where: short stacking energy: -20.534
Base-Backbone interact. energy: -0.170
local terms energy: -44.576081
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -4.297
tors. eta vs tors. theta energy: -4.244
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: 1, replica: 3
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -222.695548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.695548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.695548 (E_RNA)
where:
Base-Base interactions energy: -139.332
where: short stacking energy: -72.800
Base-Backbone interact. energy: -0.003
local terms energy: -83.360732
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -18.432
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -21.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -223.912186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.912186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.912186 (E_RNA)
where:
Base-Base interactions energy: -148.578
where: short stacking energy: -65.254
Base-Backbone interact. energy: -0.056
local terms energy: -75.278549
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -14.850
tors. eta vs tors. theta energy: -15.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -200.490763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.490763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.490763 (E_RNA)
where:
Base-Base interactions energy: -124.851
where: short stacking energy: -58.359
Base-Backbone interact. energy: -0.232
local terms energy: -75.407920
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -17.923
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: 4, replica: 5
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -206.803135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.803135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.803135 (E_RNA)
where:
Base-Base interactions energy: -134.625
where: short stacking energy: -66.508
Base-Backbone interact. energy: -0.002
local terms energy: -72.175409
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -18.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -173.460495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.460495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.460495 (E_RNA)
where:
Base-Base interactions energy: -114.341
where: short stacking energy: -44.366
Base-Backbone interact. energy: -0.537
local terms energy: -58.582487
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -6.526
tors. eta vs tors. theta energy: -8.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -101.235576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.235576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.235576 (E_RNA)
where:
Base-Base interactions energy: -38.854
where: short stacking energy: -31.439
Base-Backbone interact. energy: -0.110
local terms energy: -62.271328
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -8.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -110.536272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.536272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.536272 (E_RNA)
where:
Base-Base interactions energy: -62.067
where: short stacking energy: -36.488
Base-Backbone interact. energy: -0.952
local terms energy: -47.517855
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -10.850
flat angles C4'-P-C4' energy: -9.128
flat angles P-C4'-P energy: -3.821
tors. eta vs tors. theta energy: -7.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -86.317708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.317708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.317708 (E_RNA)
where:
Base-Base interactions energy: -31.304
where: short stacking energy: -27.698
Base-Backbone interact. energy: -0.499
local terms energy: -54.514454
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -8.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -84.347562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.347562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.347562 (E_RNA)
where:
Base-Base interactions energy: -28.374
where: short stacking energy: -24.621
Base-Backbone interact. energy: -0.023
local terms energy: -55.950843
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -0.700
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: 10, replica: 1
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -76.013679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.013679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.013679 (E_RNA)
where:
Base-Base interactions energy: -27.979
where: short stacking energy: -27.655
Base-Backbone interact. energy: -0.688
local terms energy: -47.346901
where:
bonds (distance) C4'-P energy: 0.273
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -8.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -215.753735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.753735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.753735 (E_RNA)
where:
Base-Base interactions energy: -144.113
where: short stacking energy: -69.764
Base-Backbone interact. energy: -0.032
local terms energy: -71.608654
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -17.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -216.860146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.860146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.860146 (E_RNA)
where:
Base-Base interactions energy: -142.534
where: short stacking energy: -63.244
Base-Backbone interact. energy: -0.014
local terms energy: -74.312533
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -19.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -213.615974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.615974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.615974 (E_RNA)
where:
Base-Base interactions energy: -141.435
where: short stacking energy: -69.527
Base-Backbone interact. energy: -0.002
local terms energy: -72.179729
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -18.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -199.772125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.772125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.772125 (E_RNA)
where:
Base-Base interactions energy: -130.951
where: short stacking energy: -61.434
Base-Backbone interact. energy: 2.298
local terms energy: -71.118848
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -16.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -98.705799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.705799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.705799 (E_RNA)
where:
Base-Base interactions energy: -46.049
where: short stacking energy: -36.718
Base-Backbone interact. energy: -0.270
local terms energy: -52.387479
where:
bonds (distance) C4'-P energy: -9.614
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: -5.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -167.830476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.830476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.830476 (E_RNA)
where:
Base-Base interactions energy: -114.849
where: short stacking energy: -58.321
Base-Backbone interact. energy: -0.043
local terms energy: -52.938686
where:
bonds (distance) C4'-P energy: -12.308
bonds (distance) P-C4' energy: -8.252
flat angles C4'-P-C4' energy: -8.215
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -12.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -97.745451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.745451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.745451 (E_RNA)
where:
Base-Base interactions energy: -47.359
where: short stacking energy: -24.001
Base-Backbone interact. energy: -0.355
local terms energy: -50.032055
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -6.076
tors. eta vs tors. theta energy: -3.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -85.833587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.833587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.833587 (E_RNA)
where:
Base-Base interactions energy: -33.401
where: short stacking energy: -30.083
Base-Backbone interact. energy: -0.021
local terms energy: -52.411309
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -13.854
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -6.311
tors. eta vs tors. theta energy: -5.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -72.837645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.837645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.837645 (E_RNA)
where:
Base-Base interactions energy: -21.443
where: short stacking energy: -19.596
Base-Backbone interact. energy: -0.104
local terms energy: -51.290963
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -9.791
flat angles P-C4'-P energy: -5.771
tors. eta vs tors. theta energy: -5.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -84.692313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.692313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.692313 (E_RNA)
where:
Base-Base interactions energy: -37.048
where: short stacking energy: -23.711
Base-Backbone interact. energy: -0.264
local terms energy: -47.380129
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -3.409
tors. eta vs tors. theta energy: -0.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -220.845594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.845594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.845594 (E_RNA)
where:
Base-Base interactions energy: -144.115
where: short stacking energy: -73.510
Base-Backbone interact. energy: -0.002
local terms energy: -76.729201
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -20.214
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: 2, replica: 3
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -213.449784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.449784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.449784 (E_RNA)
where:
Base-Base interactions energy: -141.441
where: short stacking energy: -66.055
Base-Backbone interact. energy: 1.149
local terms energy: -73.157287
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -19.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -216.510852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.510852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.510852 (E_RNA)
where:
Base-Base interactions energy: -148.198
where: short stacking energy: -64.296
Base-Backbone interact. energy: 0.245
local terms energy: -68.557278
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -9.964
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: 4, replica: 2
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -201.189113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.189113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.189113 (E_RNA)
where:
Base-Base interactions energy: -129.641
where: short stacking energy: -61.186
Base-Backbone interact. energy: -2.947
local terms energy: -68.600734
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -18.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -110.992809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.992809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.992809 (E_RNA)
where:
Base-Base interactions energy: -46.682
where: short stacking energy: -43.072
Base-Backbone interact. energy: -0.000
local terms energy: -64.310731
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -13.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -152.076158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.076158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.076158 (E_RNA)
where:
Base-Base interactions energy: -90.848
where: short stacking energy: -42.465
Base-Backbone interact. energy: -1.219
local terms energy: -60.008735
where:
bonds (distance) C4'-P energy: -17.961
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -6.762
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: 6
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -101.895283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.895283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.895283 (E_RNA)
where:
Base-Base interactions energy: -61.249
where: short stacking energy: -23.858
Base-Backbone interact. energy: 0.526
local terms energy: -41.172979
where:
bonds (distance) C4'-P energy: -9.272
bonds (distance) P-C4' energy: -10.844
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: 0.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -80.846564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.846564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.846564 (E_RNA)
where:
Base-Base interactions energy: -34.244
where: short stacking energy: -22.517
Base-Backbone interact. energy: -0.224
local terms energy: -46.378488
where:
bonds (distance) C4'-P energy: -7.897
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -3.925
tors. eta vs tors. theta energy: -3.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -86.132926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.132926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.132926 (E_RNA)
where:
Base-Base interactions energy: -29.374
where: short stacking energy: -29.374
Base-Backbone interact. energy: -0.071
local terms energy: -56.687360
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -10.595
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -5.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -87.732654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.732654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.732654 (E_RNA)
where:
Base-Base interactions energy: -46.129
where: short stacking energy: -27.022
Base-Backbone interact. energy: 1.955
local terms energy: -43.558448
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -10.244
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -3.815
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -223.983105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.983105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.983105 (E_RNA)
where:
Base-Base interactions energy: -147.619
where: short stacking energy: -65.677
Base-Backbone interact. energy: -0.003
local terms energy: -76.361152
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -20.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -216.530295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.530295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.530295 (E_RNA)
where:
Base-Base interactions energy: -142.219
where: short stacking energy: -62.702
Base-Backbone interact. energy: -0.096
local terms energy: -74.215485
where:
bonds (distance) C4'-P energy: -10.075
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -14.138
tors. eta vs tors. theta energy: -15.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -209.755520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.755520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.755520 (E_RNA)
where:
Base-Base interactions energy: -133.724
where: short stacking energy: -58.038
Base-Backbone interact. energy: -1.006
local terms energy: -75.025829
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -19.091
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: 5
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -207.645915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.645915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.645915 (E_RNA)
where:
Base-Base interactions energy: -139.710
where: short stacking energy: -57.471
Base-Backbone interact. energy: -0.102
local terms energy: -67.834017
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -15.566
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: 5, replica: 4
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -163.505802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.505802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.505802 (E_RNA)
where:
Base-Base interactions energy: -106.511
where: short stacking energy: -52.006
Base-Backbone interact. energy: -1.150
local terms energy: -55.844743
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -9.523
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -11.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -102.130291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.130291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.130291 (E_RNA)
where:
Base-Base interactions energy: -44.720
where: short stacking energy: -30.095
Base-Backbone interact. energy: -0.100
local terms energy: -57.310400
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -4.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -103.960114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.960114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.960114 (E_RNA)
where:
Base-Base interactions energy: -51.402
where: short stacking energy: -36.198
Base-Backbone interact. energy: -0.153
local terms energy: -52.404501
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -11.498
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -2.268
tors. eta vs tors. theta energy: -11.103
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: 240
Temperature: 1.250000
Total energy: -95.317941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.317941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.317941 (E_RNA)
where:
Base-Base interactions energy: -43.802
where: short stacking energy: -36.554
Base-Backbone interact. energy: -0.232
local terms energy: -51.283539
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -1.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -75.840912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.840912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.840912 (E_RNA)
where:
Base-Base interactions energy: -28.965
where: short stacking energy: -19.733
Base-Backbone interact. energy: -0.181
local terms energy: -46.694561
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -8.832
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: -0.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -80.028872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.028872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.028872 (E_RNA)
where:
Base-Base interactions energy: -30.126
where: short stacking energy: -29.227
Base-Backbone interact. energy: -0.177
local terms energy: -49.725186
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -1.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -222.304539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.304539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.304539 (E_RNA)
where:
Base-Base interactions energy: -150.628
where: short stacking energy: -67.385
Base-Backbone interact. energy: -0.001
local terms energy: -71.676341
where:
bonds (distance) C4'-P energy: -9.479
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -22.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -220.226105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.226105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.226105 (E_RNA)
where:
Base-Base interactions energy: -142.100
where: short stacking energy: -65.466
Base-Backbone interact. energy: -0.090
local terms energy: -78.036396
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -20.231
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: 2
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -213.562164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.562164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.562164 (E_RNA)
where:
Base-Base interactions energy: -141.721
where: short stacking energy: -65.023
Base-Backbone interact. energy: 0.369
local terms energy: -72.209989
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -14.066
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -20.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -210.511355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.511355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.511355 (E_RNA)
where:
Base-Base interactions energy: -147.879
where: short stacking energy: -62.013
Base-Backbone interact. energy: -0.005
local terms energy: -62.627388
where:
bonds (distance) C4'-P energy: -8.944
bonds (distance) P-C4' energy: -12.005
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -16.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -193.919572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.919572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.919572 (E_RNA)
where:
Base-Base interactions energy: -124.522
where: short stacking energy: -52.164
Base-Backbone interact. energy: -0.010
local terms energy: -69.387637
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -16.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -95.873547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.873547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.873547 (E_RNA)
where:
Base-Base interactions energy: -36.539
where: short stacking energy: -33.056
Base-Backbone interact. energy: 3.145
local terms energy: -62.479919
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -8.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -93.620219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.620219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.620219 (E_RNA)
where:
Base-Base interactions energy: -38.302
where: short stacking energy: -29.443
Base-Backbone interact. energy: -0.031
local terms energy: -55.287194
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -7.035
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -94.218876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.218876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.218876 (E_RNA)
where:
Base-Base interactions energy: -42.500
where: short stacking energy: -42.195
Base-Backbone interact. energy: 0.609
local terms energy: -52.327696
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -9.847
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -7.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -81.239973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.239973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.239973 (E_RNA)
where:
Base-Base interactions energy: -35.466
where: short stacking energy: -35.466
Base-Backbone interact. energy: -0.354
local terms energy: -45.419884
where:
bonds (distance) C4'-P energy: -8.515
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -4.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -70.944792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.944792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.944792 (E_RNA)
where:
Base-Base interactions energy: -27.148
where: short stacking energy: -27.148
Base-Backbone interact. energy: -0.011
local terms energy: -43.786746
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -10.946
flat angles C4'-P-C4' energy: -9.082
flat angles P-C4'-P energy: -3.622
tors. eta vs tors. theta energy: -6.252
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: 1, replica: 7
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -222.388263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.388263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.388263 (E_RNA)
where:
Base-Base interactions energy: -149.931
where: short stacking energy: -60.782
Base-Backbone interact. energy: -0.027
local terms energy: -72.430658
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -16.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -220.166574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.166574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.166574 (E_RNA)
where:
Base-Base interactions energy: -139.735
where: short stacking energy: -65.453
Base-Backbone interact. energy: -0.180
local terms energy: -80.251168
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -22.154
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: 5
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -219.928887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.928887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.928887 (E_RNA)
where:
Base-Base interactions energy: -144.627
where: short stacking energy: -67.647
Base-Backbone interact. energy: -0.094
local terms energy: -75.208061
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -16.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -201.805012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.805012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.805012 (E_RNA)
where:
Base-Base interactions energy: -130.596
where: short stacking energy: -67.023
Base-Backbone interact. energy: 1.461
local terms energy: -72.669917
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -16.755
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: 5, replica: 4
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -207.211133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.211133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.211133 (E_RNA)
where:
Base-Base interactions energy: -142.007
where: short stacking energy: -66.915
Base-Backbone interact. energy: -0.263
local terms energy: -64.940919
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -20.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -129.323004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.323004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.323004 (E_RNA)
where:
Base-Base interactions energy: -77.183
where: short stacking energy: -39.052
Base-Backbone interact. energy: -0.251
local terms energy: -51.889198
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -10.866
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -3.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -96.771814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.771814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.771814 (E_RNA)
where:
Base-Base interactions energy: -46.674
where: short stacking energy: -34.725
Base-Backbone interact. energy: -0.231
local terms energy: -49.866936
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -5.888
tors. eta vs tors. theta energy: -4.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -87.094347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.094347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.094347 (E_RNA)
where:
Base-Base interactions energy: -42.197
where: short stacking energy: -40.270
Base-Backbone interact. energy: -0.237
local terms energy: -44.660807
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -3.041
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -82.355610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.355610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.355610 (E_RNA)
where:
Base-Base interactions energy: -29.205
where: short stacking energy: -29.205
Base-Backbone interact. energy: -0.049
local terms energy: -53.101092
where:
bonds (distance) C4'-P energy: -10.535
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -7.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -72.637884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.637884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.637884 (E_RNA)
where:
Base-Base interactions energy: -29.066
where: short stacking energy: -20.146
Base-Backbone interact. energy: -0.952
local terms energy: -42.619116
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: 3.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -221.859361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.859361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.859361 (E_RNA)
where:
Base-Base interactions energy: -148.496
where: short stacking energy: -72.870
Base-Backbone interact. energy: -0.002
local terms energy: -73.360815
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -17.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -220.764464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.764464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.764464 (E_RNA)
where:
Base-Base interactions energy: -157.403
where: short stacking energy: -68.560
Base-Backbone interact. energy: -0.021
local terms energy: -63.340111
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -12.665
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -16.390
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: 3
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -216.175850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.175850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.175850 (E_RNA)
where:
Base-Base interactions energy: -139.603
where: short stacking energy: -67.717
Base-Backbone interact. energy: -0.074
local terms energy: -76.499684
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -21.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -208.130375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.130375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.130375 (E_RNA)
where:
Base-Base interactions energy: -138.834
where: short stacking energy: -59.311
Base-Backbone interact. energy: -0.015
local terms energy: -69.281454
where:
bonds (distance) C4'-P energy: -15.450
bonds (distance) P-C4' energy: -12.379
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: -19.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -170.953262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.953262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.953262 (E_RNA)
where:
Base-Base interactions energy: -110.297
where: short stacking energy: -44.848
Base-Backbone interact. energy: -0.117
local terms energy: -60.539557
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -12.723
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -14.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -158.044423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.044423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.044423 (E_RNA)
where:
Base-Base interactions energy: -90.301
where: short stacking energy: -50.450
Base-Backbone interact. energy: -0.000
local terms energy: -67.743713
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -10.944
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -5.620
tors. eta vs tors. theta energy: -17.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -82.950755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.950755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.950755 (E_RNA)
where:
Base-Base interactions energy: -31.404
where: short stacking energy: -30.870
Base-Backbone interact. energy: -0.154
local terms energy: -51.393548
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -2.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -90.669803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.669803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.669803 (E_RNA)
where:
Base-Base interactions energy: -32.551
where: short stacking energy: -32.551
Base-Backbone interact. energy: -0.008
local terms energy: -58.110063
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -5.988
tors. eta vs tors. theta energy: -6.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -74.333618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.333618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.333618 (E_RNA)
where:
Base-Base interactions energy: -26.432
where: short stacking energy: -25.900
Base-Backbone interact. energy: 0.446
local terms energy: -48.346643
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -10.350
flat angles P-C4'-P energy: -4.256
tors. eta vs tors. theta energy: -0.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -70.909513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.909513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.909513 (E_RNA)
where:
Base-Base interactions energy: -32.480
where: short stacking energy: -20.138
Base-Backbone interact. energy: 1.054
local terms energy: -39.483149
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -8.977
flat angles C4'-P-C4' energy: -10.451
flat angles P-C4'-P energy: -2.645
tors. eta vs tors. theta energy: 0.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -233.507691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.507691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.507691 (E_RNA)
where:
Base-Base interactions energy: -158.468
where: short stacking energy: -70.981
Base-Backbone interact. energy: -0.009
local terms energy: -75.030592
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -14.929
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: 244
Temperature: 0.950000
Total energy: -227.066666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.066666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.066666 (E_RNA)
where:
Base-Base interactions energy: -153.227
where: short stacking energy: -72.693
Base-Backbone interact. energy: -0.008
local terms energy: -73.831163
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -15.500
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -18.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -201.903451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.903451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.903451 (E_RNA)
where:
Base-Base interactions energy: -136.091
where: short stacking energy: -59.249
Base-Backbone interact. energy: -0.003
local terms energy: -65.808548
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -14.047
tors. eta vs tors. theta energy: -16.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -208.368469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.368469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.368469 (E_RNA)
where:
Base-Base interactions energy: -140.219
where: short stacking energy: -69.994
Base-Backbone interact. energy: -0.099
local terms energy: -68.050516
where:
bonds (distance) C4'-P energy: -13.401
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -20.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -170.147833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.147833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.147833 (E_RNA)
where:
Base-Base interactions energy: -110.689
where: short stacking energy: -50.637
Base-Backbone interact. energy: 1.322
local terms energy: -60.780660
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -10.468
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -9.137
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: 8
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -139.213001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.213001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.213001 (E_RNA)
where:
Base-Base interactions energy: -85.121
where: short stacking energy: -35.320
Base-Backbone interact. energy: -0.314
local terms energy: -53.777307
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -5.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -97.450922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.450922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.450922 (E_RNA)
where:
Base-Base interactions energy: -38.732
where: short stacking energy: -34.829
Base-Backbone interact. energy: 0.133
local terms energy: -58.852176
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -5.282
tors. eta vs tors. theta energy: -7.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -94.173935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.173935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.173935 (E_RNA)
where:
Base-Base interactions energy: -31.849
where: short stacking energy: -31.849
Base-Backbone interact. energy: -0.124
local terms energy: -62.200543
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -9.683
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: 9, replica: 6
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -84.243257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.243257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.243257 (E_RNA)
where:
Base-Base interactions energy: -39.807
where: short stacking energy: -27.785
Base-Backbone interact. energy: -0.047
local terms energy: -44.389156
where:
bonds (distance) C4'-P energy: -7.424
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -1.441
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: 10, replica: 9
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -79.552366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.552366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.552366 (E_RNA)
where:
Base-Base interactions energy: -29.310
where: short stacking energy: -27.666
Base-Backbone interact. energy: -0.810
local terms energy: -49.432154
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -10.625
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -2.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -227.252660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.252660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.252660 (E_RNA)
where:
Base-Base interactions energy: -160.313
where: short stacking energy: -67.649
Base-Backbone interact. energy: -0.008
local terms energy: -66.931636
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -16.599
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -6.071
tors. eta vs tors. theta energy: -18.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -211.776261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.776261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.776261 (E_RNA)
where:
Base-Base interactions energy: -140.103
where: short stacking energy: -54.548
Base-Backbone interact. energy: -0.622
local terms energy: -71.051429
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -18.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -219.364722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.364722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.364722 (E_RNA)
where:
Base-Base interactions energy: -149.842
where: short stacking energy: -62.859
Base-Backbone interact. energy: 0.144
local terms energy: -69.667391
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -13.076
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -5.135
tors. eta vs tors. theta energy: -18.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -210.296167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.296167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.296167 (E_RNA)
where:
Base-Base interactions energy: -138.303
where: short stacking energy: -56.607
Base-Backbone interact. energy: 0.213
local terms energy: -72.206323
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -20.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -165.789325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.789325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.789325 (E_RNA)
where:
Base-Base interactions energy: -100.184
where: short stacking energy: -45.828
Base-Backbone interact. energy: -0.312
local terms energy: -65.293596
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -3.628
tors. eta vs tors. theta energy: -13.475
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: 6, replica: 8
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -144.293494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.293494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.293494 (E_RNA)
where:
Base-Base interactions energy: -87.779
where: short stacking energy: -42.369
Base-Backbone interact. energy: -0.200
local terms energy: -56.315249
where:
bonds (distance) C4'-P energy: -8.746
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -10.255
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: 7, replica: 1
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -79.837826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.837826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.837826 (E_RNA)
where:
Base-Base interactions energy: -31.486
where: short stacking energy: -21.295
Base-Backbone interact. energy: -0.371
local terms energy: -47.981558
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -9.486
flat angles P-C4'-P energy: -5.107
tors. eta vs tors. theta energy: -3.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -99.650157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.650157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.650157 (E_RNA)
where:
Base-Base interactions energy: -51.736
where: short stacking energy: -31.698
Base-Backbone interact. energy: -0.869
local terms energy: -47.045106
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -1.972
tors. eta vs tors. theta energy: -2.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -89.849660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.849660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.849660 (E_RNA)
where:
Base-Base interactions energy: -27.727
where: short stacking energy: -22.736
Base-Backbone interact. energy: -0.081
local terms energy: -62.041805
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -9.699
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -10.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -84.478638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.478638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.478638 (E_RNA)
where:
Base-Base interactions energy: -38.335
where: short stacking energy: -22.470
Base-Backbone interact. energy: -0.229
local terms energy: -45.914161
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -3.038
tors. eta vs tors. theta energy: -2.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -233.764423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.764423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.764423 (E_RNA)
where:
Base-Base interactions energy: -165.176
where: short stacking energy: -73.719
Base-Backbone interact. energy: -0.027
local terms energy: -68.561691
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -20.199
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: 2
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -209.879366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.879366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.879366 (E_RNA)
where:
Base-Base interactions energy: -135.179
where: short stacking energy: -55.175
Base-Backbone interact. energy: -0.067
local terms energy: -74.633701
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -19.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -210.195560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.195560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.195560 (E_RNA)
where:
Base-Base interactions energy: -136.174
where: short stacking energy: -60.018
Base-Backbone interact. energy: -0.537
local terms energy: -73.484875
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -17.667
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -17.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -206.161055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.161055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.161055 (E_RNA)
where:
Base-Base interactions energy: -131.745
where: short stacking energy: -62.322
Base-Backbone interact. energy: -0.339
local terms energy: -74.077304
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -19.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -161.464970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.464970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.464970 (E_RNA)
where:
Base-Base interactions energy: -93.980
where: short stacking energy: -37.481
Base-Backbone interact. energy: -0.289
local terms energy: -67.196201
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -8.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -191.915829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.915829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.915829 (E_RNA)
where:
Base-Base interactions energy: -132.385
where: short stacking energy: -58.455
Base-Backbone interact. energy: -0.759
local terms energy: -58.771384
where:
bonds (distance) C4'-P energy: -5.865
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -14.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -87.416795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.416795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.416795 (E_RNA)
where:
Base-Base interactions energy: -34.103
where: short stacking energy: -27.160
Base-Backbone interact. energy: 0.454
local terms energy: -53.767009
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -4.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -86.804529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.804529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.804529 (E_RNA)
where:
Base-Base interactions energy: -27.037
where: short stacking energy: -25.291
Base-Backbone interact. energy: -0.017
local terms energy: -59.751453
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -3.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -89.100307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.100307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.100307 (E_RNA)
where:
Base-Base interactions energy: -38.915
where: short stacking energy: -16.530
Base-Backbone interact. energy: -0.163
local terms energy: -50.022588
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -10.925
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: -4.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -67.566579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.566579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.566579 (E_RNA)
where:
Base-Base interactions energy: -21.814
where: short stacking energy: -17.461
Base-Backbone interact. energy: -0.206
local terms energy: -45.546798
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: -2.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -230.285836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.285836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.285836 (E_RNA)
where:
Base-Base interactions energy: -157.774
where: short stacking energy: -68.923
Base-Backbone interact. energy: -0.019
local terms energy: -72.493810
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -18.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -226.559115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.559115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.559115 (E_RNA)
where:
Base-Base interactions energy: -154.722
where: short stacking energy: -67.000
Base-Backbone interact. energy: -0.001
local terms energy: -71.836847
where:
bonds (distance) C4'-P energy: -8.129
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -21.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -215.936676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.936676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.936676 (E_RNA)
where:
Base-Base interactions energy: -144.092
where: short stacking energy: -61.434
Base-Backbone interact. energy: -0.097
local terms energy: -71.747680
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -14.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -196.821775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.821775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.821775 (E_RNA)
where:
Base-Base interactions energy: -125.348
where: short stacking energy: -55.255
Base-Backbone interact. energy: -0.002
local terms energy: -71.471769
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -16.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -177.876781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.876781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.876781 (E_RNA)
where:
Base-Base interactions energy: -115.106
where: short stacking energy: -48.202
Base-Backbone interact. energy: 0.404
local terms energy: -63.174452
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -9.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -176.807533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.807533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.807533 (E_RNA)
where:
Base-Base interactions energy: -118.790
where: short stacking energy: -54.512
Base-Backbone interact. energy: -0.738
local terms energy: -57.279759
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -10.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -85.266069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.266069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.266069 (E_RNA)
where:
Base-Base interactions energy: -37.366
where: short stacking energy: -22.191
Base-Backbone interact. energy: -0.742
local terms energy: -47.158092
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: 1.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -92.675094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.675094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.675094 (E_RNA)
where:
Base-Base interactions energy: -35.142
where: short stacking energy: -32.796
Base-Backbone interact. energy: -0.244
local terms energy: -57.288546
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -3.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -73.498250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.498250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.498250 (E_RNA)
where:
Base-Base interactions energy: -26.776
where: short stacking energy: -16.900
Base-Backbone interact. energy: -0.169
local terms energy: -46.553464
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -10.012
flat angles P-C4'-P energy: -5.325
tors. eta vs tors. theta energy: -3.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -74.934617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.934617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.934617 (E_RNA)
where:
Base-Base interactions energy: -26.130
where: short stacking energy: -15.516
Base-Backbone interact. energy: -0.546
local terms energy: -48.257975
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: 1.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -230.323102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.323102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.323102 (E_RNA)
where:
Base-Base interactions energy: -146.477
where: short stacking energy: -66.099
Base-Backbone interact. energy: -0.007
local terms energy: -83.838329
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -21.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -218.315827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.315827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.315827 (E_RNA)
where:
Base-Base interactions energy: -143.800
where: short stacking energy: -76.053
Base-Backbone interact. energy: -0.000
local terms energy: -74.516084
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -23.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -217.611349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.611349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.611349 (E_RNA)
where:
Base-Base interactions energy: -140.189
where: short stacking energy: -64.555
Base-Backbone interact. energy: -0.001
local terms energy: -77.421458
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -21.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -210.140554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.140554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.140554 (E_RNA)
where:
Base-Base interactions energy: -140.997
where: short stacking energy: -61.452
Base-Backbone interact. energy: -0.114
local terms energy: -69.030006
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -13.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -174.839067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.839067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.839067 (E_RNA)
where:
Base-Base interactions energy: -109.671
where: short stacking energy: -51.491
Base-Backbone interact. energy: -0.036
local terms energy: -65.132721
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -14.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -188.430492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.430492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.430492 (E_RNA)
where:
Base-Base interactions energy: -124.581
where: short stacking energy: -58.439
Base-Backbone interact. energy: -0.556
local terms energy: -63.293826
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -14.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -90.818060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.818060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.818060 (E_RNA)
where:
Base-Base interactions energy: -36.514
where: short stacking energy: -36.514
Base-Backbone interact. energy: -0.154
local terms energy: -54.150152
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -6.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -83.746321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.746321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.746321 (E_RNA)
where:
Base-Base interactions energy: -36.871
where: short stacking energy: -29.840
Base-Backbone interact. energy: -0.137
local terms energy: -46.738007
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -6.191
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: 9, replica: 9
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -85.154436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.154436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.154436 (E_RNA)
where:
Base-Base interactions energy: -36.332
where: short stacking energy: -30.696
Base-Backbone interact. energy: 0.459
local terms energy: -49.281441
where:
bonds (distance) C4'-P energy: -8.916
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -4.374
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: 10, replica: 10
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -73.888293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.888293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.888293 (E_RNA)
where:
Base-Base interactions energy: -22.759
where: short stacking energy: -22.018
Base-Backbone interact. energy: -0.206
local terms energy: -50.923957
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -10.431
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: -1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -225.877613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.877613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.877613 (E_RNA)
where:
Base-Base interactions energy: -147.881
where: short stacking energy: -68.668
Base-Backbone interact. energy: 0.189
local terms energy: -78.185075
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -16.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -217.228473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.228473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.228473 (E_RNA)
where:
Base-Base interactions energy: -151.068
where: short stacking energy: -64.242
Base-Backbone interact. energy: -0.023
local terms energy: -66.136969
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -15.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -212.585385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.585385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.585385 (E_RNA)
where:
Base-Base interactions energy: -136.977
where: short stacking energy: -73.433
Base-Backbone interact. energy: -0.032
local terms energy: -75.576741
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -20.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -198.596976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.596976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.596976 (E_RNA)
where:
Base-Base interactions energy: -127.760
where: short stacking energy: -57.131
Base-Backbone interact. energy: -0.743
local terms energy: -70.094270
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -18.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -188.397040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.397040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.397040 (E_RNA)
where:
Base-Base interactions energy: -120.774
where: short stacking energy: -59.004
Base-Backbone interact. energy: -0.161
local terms energy: -67.461879
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -11.036
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -17.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -186.884039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.884039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.884039 (E_RNA)
where:
Base-Base interactions energy: -114.764
where: short stacking energy: -59.032
Base-Backbone interact. energy: -0.007
local terms energy: -72.112990
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -18.615
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: 6
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -116.669112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.669112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.669112 (E_RNA)
where:
Base-Base interactions energy: -60.587
where: short stacking energy: -34.405
Base-Backbone interact. energy: -1.284
local terms energy: -54.798016
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -6.646
tors. eta vs tors. theta energy: -3.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -72.568010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.568010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.568010 (E_RNA)
where:
Base-Base interactions energy: -24.257
where: short stacking energy: -24.159
Base-Backbone interact. energy: 2.336
local terms energy: -50.647162
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: 0.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -71.099040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.099040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.099040 (E_RNA)
where:
Base-Base interactions energy: -31.804
where: short stacking energy: -21.524
Base-Backbone interact. energy: -0.025
local terms energy: -39.269909
where:
bonds (distance) C4'-P energy: -7.737
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: 4.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -82.977165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.977165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.977165 (E_RNA)
where:
Base-Base interactions energy: -34.423
where: short stacking energy: -27.519
Base-Backbone interact. energy: -0.161
local terms energy: -48.393125
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -9.469
flat angles P-C4'-P energy: -3.540
tors. eta vs tors. theta energy: -7.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -226.681972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.681972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.681972 (E_RNA)
where:
Base-Base interactions energy: -155.692
where: short stacking energy: -68.639
Base-Backbone interact. energy: 1.629
local terms energy: -72.618777
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: -15.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -224.610041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.610041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.610041 (E_RNA)
where:
Base-Base interactions energy: -152.023
where: short stacking energy: -71.112
Base-Backbone interact. energy: -0.116
local terms energy: -72.470643
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -10.677
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -16.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -219.856193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.856193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.856193 (E_RNA)
where:
Base-Base interactions energy: -147.039
where: short stacking energy: -66.762
Base-Backbone interact. energy: -0.100
local terms energy: -72.717147
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -22.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -213.074453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.074453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.074453 (E_RNA)
where:
Base-Base interactions energy: -136.191
where: short stacking energy: -60.991
Base-Backbone interact. energy: -0.066
local terms energy: -76.817595
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -19.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -206.151728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.151728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.151728 (E_RNA)
where:
Base-Base interactions energy: -138.188
where: short stacking energy: -59.804
Base-Backbone interact. energy: -0.037
local terms energy: -67.926667
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -16.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -145.603672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.603672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.603672 (E_RNA)
where:
Base-Base interactions energy: -90.536
where: short stacking energy: -35.076
Base-Backbone interact. energy: -0.022
local terms energy: -55.046081
where:
bonds (distance) C4'-P energy: -7.495
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -6.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -131.500599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.500599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.500599 (E_RNA)
where:
Base-Base interactions energy: -81.426
where: short stacking energy: -32.982
Base-Backbone interact. energy: -0.755
local terms energy: -49.319551
where:
bonds (distance) C4'-P energy: -8.415
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -4.937
tors. eta vs tors. theta energy: -7.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -73.359378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.359378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.359378 (E_RNA)
where:
Base-Base interactions energy: -27.369
where: short stacking energy: -27.524
Base-Backbone interact. energy: 0.830
local terms energy: -46.820577
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -7.063
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -3.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -83.059771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.059771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.059771 (E_RNA)
where:
Base-Base interactions energy: -34.056
where: short stacking energy: -24.056
Base-Backbone interact. energy: -0.040
local terms energy: -48.963600
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -3.632
tors. eta vs tors. theta energy: -1.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -83.338139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.338139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.338139 (E_RNA)
where:
Base-Base interactions energy: -38.117
where: short stacking energy: -15.986
Base-Backbone interact. energy: -0.210
local terms energy: -45.011129
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -5.072
tors. eta vs tors. theta energy: -3.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -222.626656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.626656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.626656 (E_RNA)
where:
Base-Base interactions energy: -147.887
where: short stacking energy: -64.291
Base-Backbone interact. energy: -0.060
local terms energy: -74.679690
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -11.849
tors. eta vs tors. theta energy: -16.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -217.823478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.823478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.823478 (E_RNA)
where:
Base-Base interactions energy: -140.336
where: short stacking energy: -67.492
Base-Backbone interact. energy: -0.002
local terms energy: -77.485156
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -20.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -195.549524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.549524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.549524 (E_RNA)
where:
Base-Base interactions energy: -121.431
where: short stacking energy: -67.909
Base-Backbone interact. energy: -0.035
local terms energy: -74.083864
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -16.735
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: 251
Temperature: 1.050000
Total energy: -204.233014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.233014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.233014 (E_RNA)
where:
Base-Base interactions energy: -133.133
where: short stacking energy: -66.341
Base-Backbone interact. energy: -0.053
local terms energy: -71.047502
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -13.419
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: 5, replica: 7
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -209.833325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.833325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.833325 (E_RNA)
where:
Base-Base interactions energy: -137.194
where: short stacking energy: -65.318
Base-Backbone interact. energy: -0.002
local terms energy: -72.637910
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -20.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -169.221603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.221603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.221603 (E_RNA)
where:
Base-Base interactions energy: -108.892
where: short stacking energy: -52.262
Base-Backbone interact. energy: -0.437
local terms energy: -59.891944
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -11.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -101.835746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.835746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.835746 (E_RNA)
where:
Base-Base interactions energy: -52.343
where: short stacking energy: -28.484
Base-Backbone interact. energy: -0.446
local terms energy: -49.046916
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: 2.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -79.927264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.927264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.927264 (E_RNA)
where:
Base-Base interactions energy: -32.338
where: short stacking energy: -27.919
Base-Backbone interact. energy: -0.043
local terms energy: -47.546721
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -6.058
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -2.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -83.924579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.924579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.924579 (E_RNA)
where:
Base-Base interactions energy: -33.204
where: short stacking energy: -33.204
Base-Backbone interact. energy: -0.020
local terms energy: -50.700272
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: -3.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -72.527548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.527548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.527548 (E_RNA)
where:
Base-Base interactions energy: -24.151
where: short stacking energy: -16.121
Base-Backbone interact. energy: -0.052
local terms energy: -48.324068
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -2.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -226.146410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.146410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.146410 (E_RNA)
where:
Base-Base interactions energy: -148.659
where: short stacking energy: -65.039
Base-Backbone interact. energy: -0.029
local terms energy: -77.458496
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -20.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -221.589522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.589522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.589522 (E_RNA)
where:
Base-Base interactions energy: -148.054
where: short stacking energy: -68.146
Base-Backbone interact. energy: 0.255
local terms energy: -73.791036
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -17.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -218.878522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.878522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.878522 (E_RNA)
where:
Base-Base interactions energy: -141.438
where: short stacking energy: -66.751
Base-Backbone interact. energy: -0.097
local terms energy: -77.343236
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -19.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -209.080072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.080072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.080072 (E_RNA)
where:
Base-Base interactions energy: -139.023
where: short stacking energy: -63.139
Base-Backbone interact. energy: -0.062
local terms energy: -69.994340
where:
bonds (distance) C4'-P energy: -9.265
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -16.833
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -15.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -183.819441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.819441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.819441 (E_RNA)
where:
Base-Base interactions energy: -122.768
where: short stacking energy: -49.578
Base-Backbone interact. energy: -0.002
local terms energy: -61.049832
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -11.820
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -5.017
tors. eta vs tors. theta energy: -18.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -191.783562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.783562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.783562 (E_RNA)
where:
Base-Base interactions energy: -121.992
where: short stacking energy: -57.765
Base-Backbone interact. energy: -0.003
local terms energy: -69.788329
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -19.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -90.925369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.925369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.925369 (E_RNA)
where:
Base-Base interactions energy: -40.764
where: short stacking energy: -26.774
Base-Backbone interact. energy: -0.974
local terms energy: -49.187753
where:
bonds (distance) C4'-P energy: -7.934
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -2.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -88.459052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.459052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.459052 (E_RNA)
where:
Base-Base interactions energy: -35.445
where: short stacking energy: -31.742
Base-Backbone interact. energy: -0.260
local terms energy: -52.753555
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -10.957
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -2.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -86.739278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.739278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.739278 (E_RNA)
where:
Base-Base interactions energy: -31.061
where: short stacking energy: -31.061
Base-Backbone interact. energy: -0.229
local terms energy: -55.448937
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -11.003
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -4.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -69.865405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.865405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.865405 (E_RNA)
where:
Base-Base interactions energy: -30.006
where: short stacking energy: -29.240
Base-Backbone interact. energy: 2.797
local terms energy: -42.656462
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -4.258
tors. eta vs tors. theta energy: -0.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -221.384813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.384813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.384813 (E_RNA)
where:
Base-Base interactions energy: -145.403
where: short stacking energy: -59.774
Base-Backbone interact. energy: -0.305
local terms energy: -75.676596
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -17.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -217.361439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.361439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.361439 (E_RNA)
where:
Base-Base interactions energy: -137.548
where: short stacking energy: -66.189
Base-Backbone interact. energy: -0.152
local terms energy: -79.661423
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -21.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -214.361996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.361996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.361996 (E_RNA)
where:
Base-Base interactions energy: -141.963
where: short stacking energy: -69.420
Base-Backbone interact. energy: -0.007
local terms energy: -72.391622
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -18.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -212.722713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.722713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.722713 (E_RNA)
where:
Base-Base interactions energy: -142.947
where: short stacking energy: -62.364
Base-Backbone interact. energy: -0.050
local terms energy: -69.725556
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -15.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -176.563139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.563139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.563139 (E_RNA)
where:
Base-Base interactions energy: -111.452
where: short stacking energy: -47.145
Base-Backbone interact. energy: -0.171
local terms energy: -64.940200
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -11.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -178.843906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.843906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.843906 (E_RNA)
where:
Base-Base interactions energy: -114.794
where: short stacking energy: -54.574
Base-Backbone interact. energy: -0.267
local terms energy: -63.782915
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -12.831
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: 7, replica: 6
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -97.864987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.864987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.864987 (E_RNA)
where:
Base-Base interactions energy: -37.421
where: short stacking energy: -37.421
Base-Backbone interact. energy: -0.008
local terms energy: -60.435366
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -8.018
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: 8, replica: 10
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -82.551877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.551877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.551877 (E_RNA)
where:
Base-Base interactions energy: -38.905
where: short stacking energy: -26.070
Base-Backbone interact. energy: -0.032
local terms energy: -43.615156
where:
bonds (distance) C4'-P energy: -10.733
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -8.481
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: 0.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -86.262774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.262774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.262774 (E_RNA)
where:
Base-Base interactions energy: -35.416
where: short stacking energy: -23.893
Base-Backbone interact. energy: -0.323
local terms energy: -50.524249
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -2.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -71.620875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.620875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.620875 (E_RNA)
where:
Base-Base interactions energy: -24.224
where: short stacking energy: -20.213
Base-Backbone interact. energy: -0.272
local terms energy: -47.124218
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -2.314
tors. eta vs tors. theta energy: -2.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -221.157246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.157246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.157246 (E_RNA)
where:
Base-Base interactions energy: -146.445
where: short stacking energy: -62.779
Base-Backbone interact. energy: -0.069
local terms energy: -74.642807
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -19.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -216.952146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.952146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.952146 (E_RNA)
where:
Base-Base interactions energy: -139.701
where: short stacking energy: -62.108
Base-Backbone interact. energy: -0.003
local terms energy: -77.248425
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -20.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -208.270966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.270966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.270966 (E_RNA)
where:
Base-Base interactions energy: -126.427
where: short stacking energy: -68.562
Base-Backbone interact. energy: 0.312
local terms energy: -82.156592
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -14.789
tors. eta vs tors. theta energy: -19.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -213.463709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.463709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.463709 (E_RNA)
where:
Base-Base interactions energy: -147.623
where: short stacking energy: -60.976
Base-Backbone interact. energy: -0.078
local terms energy: -65.762784
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -16.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -202.722393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.722393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.722393 (E_RNA)
where:
Base-Base interactions energy: -131.986
where: short stacking energy: -65.487
Base-Backbone interact. energy: -0.359
local terms energy: -70.378206
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -18.569
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: 7
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -160.843889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.843889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.843889 (E_RNA)
where:
Base-Base interactions energy: -100.594
where: short stacking energy: -40.776
Base-Backbone interact. energy: -0.592
local terms energy: -59.658268
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -6.369
tors. eta vs tors. theta energy: -9.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -101.957800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.957800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.957800 (E_RNA)
where:
Base-Base interactions energy: -42.372
where: short stacking energy: -30.905
Base-Backbone interact. energy: -0.693
local terms energy: -58.893283
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -4.749
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: 8, replica: 10
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -78.365534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.365534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.365534 (E_RNA)
where:
Base-Base interactions energy: -23.994
where: short stacking energy: -22.249
Base-Backbone interact. energy: -0.813
local terms energy: -53.558094
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: 0.822
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: 9
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -85.845712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.845712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.845712 (E_RNA)
where:
Base-Base interactions energy: -32.499
where: short stacking energy: -28.866
Base-Backbone interact. energy: -1.019
local terms energy: -52.327914
where:
bonds (distance) C4'-P energy: -11.231
bonds (distance) P-C4' energy: -11.590
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -5.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -80.904155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.904155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.904155 (E_RNA)
where:
Base-Base interactions energy: -29.711
where: short stacking energy: -25.151
Base-Backbone interact. energy: 0.142
local terms energy: -51.335242
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -9.044
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -6.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -224.173621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.173621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.173621 (E_RNA)
where:
Base-Base interactions energy: -145.663
where: short stacking energy: -63.193
Base-Backbone interact. energy: -0.049
local terms energy: -78.460960
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -13.816
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -19.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -222.203670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.203670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.203670 (E_RNA)
where:
Base-Base interactions energy: -153.819
where: short stacking energy: -66.744
Base-Backbone interact. energy: -0.015
local terms energy: -68.370118
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -14.031
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -5.666
tors. eta vs tors. theta energy: -17.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -213.409324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.409324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.409324 (E_RNA)
where:
Base-Base interactions energy: -136.671
where: short stacking energy: -53.802
Base-Backbone interact. energy: -0.030
local terms energy: -76.708297
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -19.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -209.341715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.341715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.341715 (E_RNA)
where:
Base-Base interactions energy: -137.098
where: short stacking energy: -61.877
Base-Backbone interact. energy: -0.140
local terms energy: -72.103601
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -18.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -200.956427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.956427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.956427 (E_RNA)
where:
Base-Base interactions energy: -131.657
where: short stacking energy: -55.863
Base-Backbone interact. energy: -0.276
local terms energy: -69.023638
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -9.862
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -17.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -170.633216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.633216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.633216 (E_RNA)
where:
Base-Base interactions energy: -107.871
where: short stacking energy: -53.411
Base-Backbone interact. energy: -0.584
local terms energy: -62.179102
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -5.179
tors. eta vs tors. theta energy: -13.069
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: 6
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -95.101733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.101733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.101733 (E_RNA)
where:
Base-Base interactions energy: -41.536
where: short stacking energy: -27.749
Base-Backbone interact. energy: -0.028
local terms energy: -53.537729
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -5.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -81.549037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.549037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.549037 (E_RNA)
where:
Base-Base interactions energy: -31.723
where: short stacking energy: -24.991
Base-Backbone interact. energy: -1.501
local terms energy: -48.325086
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: 0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -84.209316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.209316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.209316 (E_RNA)
where:
Base-Base interactions energy: -27.626
where: short stacking energy: -18.286
Base-Backbone interact. energy: -0.154
local terms energy: -56.429200
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -1.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -79.244496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.244496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.244496 (E_RNA)
where:
Base-Base interactions energy: -32.686
where: short stacking energy: -24.554
Base-Backbone interact. energy: -0.499
local terms energy: -46.059726
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: 3.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -230.302422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.302422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.302422 (E_RNA)
where:
Base-Base interactions energy: -155.460
where: short stacking energy: -71.293
Base-Backbone interact. energy: 0.387
local terms energy: -75.229798
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -20.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -208.387542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.387542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.387542 (E_RNA)
where:
Base-Base interactions energy: -130.791
where: short stacking energy: -61.004
Base-Backbone interact. energy: -0.003
local terms energy: -77.593706
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -17.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -219.421622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.421622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.421622 (E_RNA)
where:
Base-Base interactions energy: -141.322
where: short stacking energy: -57.110
Base-Backbone interact. energy: -0.018
local terms energy: -78.081940
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -13.785
tors. eta vs tors. theta energy: -17.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -200.071730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.071730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.071730 (E_RNA)
where:
Base-Base interactions energy: -135.016
where: short stacking energy: -56.626
Base-Backbone interact. energy: -0.005
local terms energy: -65.050148
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -15.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -205.720301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.720301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.720301 (E_RNA)
where:
Base-Base interactions energy: -135.349
where: short stacking energy: -54.780
Base-Backbone interact. energy: -0.021
local terms energy: -70.351033
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -19.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -147.584083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.584083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.584083 (E_RNA)
where:
Base-Base interactions energy: -96.371
where: short stacking energy: -32.669
Base-Backbone interact. energy: 0.482
local terms energy: -51.694934
where:
bonds (distance) C4'-P energy: -10.104
bonds (distance) P-C4' energy: -11.045
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -5.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -87.892703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.892703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.892703 (E_RNA)
where:
Base-Base interactions energy: -37.163
where: short stacking energy: -37.163
Base-Backbone interact. energy: -0.140
local terms energy: -50.589937
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -12.879
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -6.505
tors. eta vs tors. theta energy: -4.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -93.986121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.986121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.986121 (E_RNA)
where:
Base-Base interactions energy: -42.762
where: short stacking energy: -39.394
Base-Backbone interact. energy: 2.565
local terms energy: -53.789687
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -9.443
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -10.682
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: 1
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -86.295077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.295077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.295077 (E_RNA)
where:
Base-Base interactions energy: -44.499
where: short stacking energy: -20.019
Base-Backbone interact. energy: -0.052
local terms energy: -41.744055
where:
bonds (distance) C4'-P energy: -11.132
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -11.181
flat angles P-C4'-P energy: -6.060
tors. eta vs tors. theta energy: 1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -79.306281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.306281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.306281 (E_RNA)
where:
Base-Base interactions energy: -38.708
where: short stacking energy: -33.031
Base-Backbone interact. energy: -0.082
local terms energy: -40.516367
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -8.566
flat angles P-C4'-P energy: -3.512
tors. eta vs tors. theta energy: -4.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -227.916583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.916583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.916583 (E_RNA)
where:
Base-Base interactions energy: -150.901
where: short stacking energy: -69.304
Base-Backbone interact. energy: -0.033
local terms energy: -76.982626
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -22.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -213.678299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.678299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.678299 (E_RNA)
where:
Base-Base interactions energy: -140.377
where: short stacking energy: -65.957
Base-Backbone interact. energy: -0.065
local terms energy: -73.235772
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -10.229
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -21.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -219.314633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.314633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.314633 (E_RNA)
where:
Base-Base interactions energy: -143.258
where: short stacking energy: -71.021
Base-Backbone interact. energy: 0.614
local terms energy: -76.670279
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -19.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -216.300549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.300549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.300549 (E_RNA)
where:
Base-Base interactions energy: -147.455
where: short stacking energy: -67.861
Base-Backbone interact. energy: -0.073
local terms energy: -68.773011
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -18.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -196.250877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.250877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.250877 (E_RNA)
where:
Base-Base interactions energy: -120.622
where: short stacking energy: -56.114
Base-Backbone interact. energy: -0.469
local terms energy: -75.160254
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -16.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -160.155994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.155994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.155994 (E_RNA)
where:
Base-Base interactions energy: -106.396
where: short stacking energy: -52.157
Base-Backbone interact. energy: -0.583
local terms energy: -53.177147
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -10.010
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -4.465
tors. eta vs tors. theta energy: -13.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -90.981602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.981602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.981602 (E_RNA)
where:
Base-Base interactions energy: -36.382
where: short stacking energy: -35.726
Base-Backbone interact. energy: 0.848
local terms energy: -55.448165
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -5.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -86.109700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.109700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.109700 (E_RNA)
where:
Base-Base interactions energy: -38.738
where: short stacking energy: -38.738
Base-Backbone interact. energy: 1.310
local terms energy: -48.681443
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -5.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -84.380767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.380767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.380767 (E_RNA)
where:
Base-Base interactions energy: -33.950
where: short stacking energy: -22.026
Base-Backbone interact. energy: -0.347
local terms energy: -50.084008
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -2.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -77.630645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.630645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.630645 (E_RNA)
where:
Base-Base interactions energy: -28.287
where: short stacking energy: -10.097
Base-Backbone interact. energy: -0.853
local terms energy: -48.490792
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -11.260
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: 3
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -228.092172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.092172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.092172 (E_RNA)
where:
Base-Base interactions energy: -146.574
where: short stacking energy: -66.079
Base-Backbone interact. energy: -0.371
local terms energy: -81.147051
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -18.513
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -19.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -216.511887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.511887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.511887 (E_RNA)
where:
Base-Base interactions energy: -144.551
where: short stacking energy: -61.659
Base-Backbone interact. energy: -0.163
local terms energy: -71.798194
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -16.643
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: 4
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -212.048801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.048801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.048801 (E_RNA)
where:
Base-Base interactions energy: -135.510
where: short stacking energy: -63.521
Base-Backbone interact. energy: -0.074
local terms energy: -76.465241
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -17.790
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: 5
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -215.277101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.277101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.277101 (E_RNA)
where:
Base-Base interactions energy: -141.377
where: short stacking energy: -67.018
Base-Backbone interact. energy: -0.001
local terms energy: -73.899966
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -200.784327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.784327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.784327 (E_RNA)
where:
Base-Base interactions energy: -131.260
where: short stacking energy: -63.305
Base-Backbone interact. energy: -0.003
local terms energy: -69.521444
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -11.325
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -19.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -196.742034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.742034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.742034 (E_RNA)
where:
Base-Base interactions energy: -126.961
where: short stacking energy: -52.293
Base-Backbone interact. energy: -0.008
local terms energy: -69.773232
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -15.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -91.322475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.322475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.322475 (E_RNA)
where:
Base-Base interactions energy: -34.013
where: short stacking energy: -27.406
Base-Backbone interact. energy: 0.769
local terms energy: -58.078069
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -4.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -97.154159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.154159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.154159 (E_RNA)
where:
Base-Base interactions energy: -43.235
where: short stacking energy: -36.826
Base-Backbone interact. energy: -0.106
local terms energy: -53.813035
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -11.209
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -5.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -94.407273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.407273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.407273 (E_RNA)
where:
Base-Base interactions energy: -43.253
where: short stacking energy: -23.138
Base-Backbone interact. energy: -1.569
local terms energy: -49.585638
where:
bonds (distance) C4'-P energy: -8.031
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -5.566
tors. eta vs tors. theta energy: -4.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -74.143515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.143515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.143515 (E_RNA)
where:
Base-Base interactions energy: -33.603
where: short stacking energy: -22.968
Base-Backbone interact. energy: 0.213
local terms energy: -40.752776
where:
bonds (distance) C4'-P energy: -9.988
bonds (distance) P-C4' energy: -9.994
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: 1.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -230.661065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.661065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.661065 (E_RNA)
where:
Base-Base interactions energy: -158.600
where: short stacking energy: -69.324
Base-Backbone interact. energy: -0.114
local terms energy: -71.946934
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -20.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -221.383990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.383990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.383990 (E_RNA)
where:
Base-Base interactions energy: -147.206
where: short stacking energy: -62.900
Base-Backbone interact. energy: -0.013
local terms energy: -74.165189
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -16.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -207.372030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.372030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.372030 (E_RNA)
where:
Base-Base interactions energy: -130.896
where: short stacking energy: -62.956
Base-Backbone interact. energy: -0.832
local terms energy: -75.643808
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -20.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -205.322929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.322929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.322929 (E_RNA)
where:
Base-Base interactions energy: -142.447
where: short stacking energy: -62.495
Base-Backbone interact. energy: -0.071
local terms energy: -62.804267
where:
bonds (distance) C4'-P energy: -8.894
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -10.118
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -18.878
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: 5, replica: 5
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -204.116387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.116387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.116387 (E_RNA)
where:
Base-Base interactions energy: -140.368
where: short stacking energy: -67.491
Base-Backbone interact. energy: -0.019
local terms energy: -63.730006
where:
bonds (distance) C4'-P energy: -9.668
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -17.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -203.174919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.174919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.174919 (E_RNA)
where:
Base-Base interactions energy: -134.650
where: short stacking energy: -62.624
Base-Backbone interact. energy: -0.001
local terms energy: -68.523648
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -17.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -104.625991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.625991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.625991 (E_RNA)
where:
Base-Base interactions energy: -38.806
where: short stacking energy: -34.778
Base-Backbone interact. energy: -0.841
local terms energy: -64.978810
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -10.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -87.199587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.199587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.199587 (E_RNA)
where:
Base-Base interactions energy: -36.732
where: short stacking energy: -26.444
Base-Backbone interact. energy: 0.067
local terms energy: -50.534645
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -5.673
tors. eta vs tors. theta energy: -2.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -80.269601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.269601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.269601 (E_RNA)
where:
Base-Base interactions energy: -31.346
where: short stacking energy: -25.712
Base-Backbone interact. energy: -0.230
local terms energy: -48.694355
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -10.274
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -1.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -70.131856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.131856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.131856 (E_RNA)
where:
Base-Base interactions energy: -26.740
where: short stacking energy: -12.804
Base-Backbone interact. energy: 0.903
local terms energy: -44.295440
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: 5.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -231.134084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.134084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.134084 (E_RNA)
where:
Base-Base interactions energy: -159.987
where: short stacking energy: -67.720
Base-Backbone interact. energy: -0.001
local terms energy: -71.146214
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: -19.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -218.064652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.064652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.064652 (E_RNA)
where:
Base-Base interactions energy: -134.733
where: short stacking energy: -63.383
Base-Backbone interact. energy: -0.022
local terms energy: -83.309873
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -21.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -219.397565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.397565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.397565 (E_RNA)
where:
Base-Base interactions energy: -147.827
where: short stacking energy: -64.521
Base-Backbone interact. energy: -0.061
local terms energy: -71.509869
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -21.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -212.367542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.367542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.367542 (E_RNA)
where:
Base-Base interactions energy: -134.900
where: short stacking energy: -65.393
Base-Backbone interact. energy: -0.076
local terms energy: -77.391276
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -21.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -208.753887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.753887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.753887 (E_RNA)
where:
Base-Base interactions energy: -137.991
where: short stacking energy: -62.296
Base-Backbone interact. energy: -0.050
local terms energy: -70.713354
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -12.136
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -19.025
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: 8
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -153.696167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.696167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.696167 (E_RNA)
where:
Base-Base interactions energy: -99.878
where: short stacking energy: -49.990
Base-Backbone interact. energy: -1.558
local terms energy: -52.260610
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -8.579
flat angles P-C4'-P energy: -6.594
tors. eta vs tors. theta energy: -9.991
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: -90.170686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.170686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.170686 (E_RNA)
where:
Base-Base interactions energy: -37.252
where: short stacking energy: -34.780
Base-Backbone interact. energy: -0.008
local terms energy: -52.910634
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -9.270
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -5.372
tors. eta vs tors. theta energy: -8.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -90.703212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.703212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.703212 (E_RNA)
where:
Base-Base interactions energy: -44.170
where: short stacking energy: -38.402
Base-Backbone interact. energy: -0.122
local terms energy: -46.410818
where:
bonds (distance) C4'-P energy: -7.814
bonds (distance) P-C4' energy: -12.495
flat angles C4'-P-C4' energy: -9.257
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -6.414
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: 10
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -71.358417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.358417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.358417 (E_RNA)
where:
Base-Base interactions energy: -20.698
where: short stacking energy: -19.351
Base-Backbone interact. energy: -0.324
local terms energy: -50.337104
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: 3.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -74.026713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.026713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.026713 (E_RNA)
where:
Base-Base interactions energy: -24.252
where: short stacking energy: -21.801
Base-Backbone interact. energy: -0.200
local terms energy: -49.574881
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -10.306
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -1.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -223.659806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.659806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.659806 (E_RNA)
where:
Base-Base interactions energy: -146.458
where: short stacking energy: -67.399
Base-Backbone interact. energy: -0.001
local terms energy: -77.201232
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -20.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -223.516558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.516558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.516558 (E_RNA)
where:
Base-Base interactions energy: -140.631
where: short stacking energy: -67.421
Base-Backbone interact. energy: -0.003
local terms energy: -82.882658
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -21.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -223.906456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.906456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.906456 (E_RNA)
where:
Base-Base interactions energy: -142.644
where: short stacking energy: -68.834
Base-Backbone interact. energy: 0.015
local terms energy: -81.278113
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -22.176
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: 261
Temperature: 1.050000
Total energy: -211.076870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.076870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.076870 (E_RNA)
where:
Base-Base interactions energy: -145.505
where: short stacking energy: -62.161
Base-Backbone interact. energy: -0.098
local terms energy: -65.473491
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -11.568
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -18.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -196.135855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.135855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.135855 (E_RNA)
where:
Base-Base interactions energy: -132.970
where: short stacking energy: -62.311
Base-Backbone interact. energy: -0.018
local terms energy: -63.148050
where:
bonds (distance) C4'-P energy: -8.882
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -3.285
tors. eta vs tors. theta energy: -19.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -151.132547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.132547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.132547 (E_RNA)
where:
Base-Base interactions energy: -98.447
where: short stacking energy: -45.822
Base-Backbone interact. energy: -0.192
local terms energy: -52.493477
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -11.530
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -6.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -97.105799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.105799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.105799 (E_RNA)
where:
Base-Base interactions energy: -42.195
where: short stacking energy: -16.915
Base-Backbone interact. energy: -0.532
local terms energy: -54.378595
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -2.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -88.251435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.251435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.251435 (E_RNA)
where:
Base-Base interactions energy: -42.056
where: short stacking energy: -19.889
Base-Backbone interact. energy: -0.309
local terms energy: -45.886534
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -6.527
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -2.628
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: 10
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -80.936841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.936841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.936841 (E_RNA)
where:
Base-Base interactions energy: -24.992
where: short stacking energy: -23.688
Base-Backbone interact. energy: -1.075
local terms energy: -54.869150
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -6.903
tors. eta vs tors. theta energy: -7.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -76.157845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.157845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.157845 (E_RNA)
where:
Base-Base interactions energy: -33.036
where: short stacking energy: -32.093
Base-Backbone interact. energy: 3.932
local terms energy: -47.054142
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -11.292
flat angles C4'-P-C4' energy: -8.901
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -4.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -229.175817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.175817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.175817 (E_RNA)
where:
Base-Base interactions energy: -156.810
where: short stacking energy: -65.504
Base-Backbone interact. energy: 1.688
local terms energy: -74.053128
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -18.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -217.288359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.288359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.288359 (E_RNA)
where:
Base-Base interactions energy: -137.705
where: short stacking energy: -59.240
Base-Backbone interact. energy: -0.166
local terms energy: -79.417980
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -18.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -220.954362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.954362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.954362 (E_RNA)
where:
Base-Base interactions energy: -145.159
where: short stacking energy: -59.580
Base-Backbone interact. energy: -0.095
local terms energy: -75.700048
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -19.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -202.858741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.858741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.858741 (E_RNA)
where:
Base-Base interactions energy: -133.086
where: short stacking energy: -61.976
Base-Backbone interact. energy: -0.084
local terms energy: -69.688458
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -8.840
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -21.283
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: 2
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -164.570861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.570861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.570861 (E_RNA)
where:
Base-Base interactions energy: -104.996
where: short stacking energy: -50.813
Base-Backbone interact. energy: 0.867
local terms energy: -60.442835
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -9.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -122.074759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.074759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.074759 (E_RNA)
where:
Base-Base interactions energy: -66.857
where: short stacking energy: -38.231
Base-Backbone interact. energy: -0.393
local terms energy: -54.825148
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -4.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -83.755863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.755863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.755863 (E_RNA)
where:
Base-Base interactions energy: -34.883
where: short stacking energy: -22.878
Base-Backbone interact. energy: -0.325
local terms energy: -48.547128
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -9.447
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -1.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -88.932777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.932777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.932777 (E_RNA)
where:
Base-Base interactions energy: -38.188
where: short stacking energy: -31.979
Base-Backbone interact. energy: -0.112
local terms energy: -50.633210
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -2.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -99.887259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.887259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.887259 (E_RNA)
where:
Base-Base interactions energy: -45.602
where: short stacking energy: -31.480
Base-Backbone interact. energy: -0.002
local terms energy: -54.283004
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -9.061
flat angles P-C4'-P energy: -5.633
tors. eta vs tors. theta energy: -9.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -76.925122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.925122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.925122 (E_RNA)
where:
Base-Base interactions energy: -28.612
where: short stacking energy: -18.374
Base-Backbone interact. energy: -0.092
local terms energy: -48.221031
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -10.515
flat angles P-C4'-P energy: -4.752
tors. eta vs tors. theta energy: -4.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -224.348334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.348334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.348334 (E_RNA)
where:
Base-Base interactions energy: -147.058
where: short stacking energy: -69.315
Base-Backbone interact. energy: -0.324
local terms energy: -76.965783
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -24.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -211.678782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.678782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.678782 (E_RNA)
where:
Base-Base interactions energy: -138.785
where: short stacking energy: -59.916
Base-Backbone interact. energy: -0.068
local terms energy: -72.825941
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -16.138
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: 3
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -199.499408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.499408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.499408 (E_RNA)
where:
Base-Base interactions energy: -124.560
where: short stacking energy: -55.984
Base-Backbone interact. energy: -0.030
local terms energy: -74.909670
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -12.325
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -18.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -200.960009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.960009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.960009 (E_RNA)
where:
Base-Base interactions energy: -131.064
where: short stacking energy: -53.834
Base-Backbone interact. energy: -0.303
local terms energy: -69.592578
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -16.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -144.971964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.971964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.971964 (E_RNA)
where:
Base-Base interactions energy: -86.081
where: short stacking energy: -39.983
Base-Backbone interact. energy: -0.311
local terms energy: -58.579679
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -7.514
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: 6, replica: 8
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -101.084717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.084717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.084717 (E_RNA)
where:
Base-Base interactions energy: -48.139
where: short stacking energy: -29.144
Base-Backbone interact. energy: -0.247
local terms energy: -52.699157
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: 1.430
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: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -82.489850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.489850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.489850 (E_RNA)
where:
Base-Base interactions energy: -30.147
where: short stacking energy: -27.900
Base-Backbone interact. energy: -0.214
local terms energy: -52.128355
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -2.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -97.804655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.804655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.804655 (E_RNA)
where:
Base-Base interactions energy: -37.762
where: short stacking energy: -35.087
Base-Backbone interact. energy: -0.067
local terms energy: -59.976270
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -9.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -87.162093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.162093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.162093 (E_RNA)
where:
Base-Base interactions energy: -35.238
where: short stacking energy: -28.296
Base-Backbone interact. energy: -0.091
local terms energy: -51.832885
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: -3.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -72.620207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.620207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.620207 (E_RNA)
where:
Base-Base interactions energy: -21.807
where: short stacking energy: -19.175
Base-Backbone interact. energy: -0.771
local terms energy: -50.042843
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -10.827
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -2.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -217.550306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.550306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.550306 (E_RNA)
where:
Base-Base interactions energy: -149.128
where: short stacking energy: -57.326
Base-Backbone interact. energy: -0.101
local terms energy: -68.321251
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -15.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -223.531269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.531269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.531269 (E_RNA)
where:
Base-Base interactions energy: -150.845
where: short stacking energy: -70.549
Base-Backbone interact. energy: 0.055
local terms energy: -72.741247
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -21.621
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: 4
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -214.323287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.323287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.323287 (E_RNA)
where:
Base-Base interactions energy: -143.835
where: short stacking energy: -59.294
Base-Backbone interact. energy: -0.007
local terms energy: -70.480718
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -14.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -209.841645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.841645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.841645 (E_RNA)
where:
Base-Base interactions energy: -142.366
where: short stacking energy: -73.019
Base-Backbone interact. energy: -0.019
local terms energy: -67.456470
where:
bonds (distance) C4'-P energy: -8.159
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -20.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -186.037140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.037140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.037140 (E_RNA)
where:
Base-Base interactions energy: -121.024
where: short stacking energy: -47.260
Base-Backbone interact. energy: -1.035
local terms energy: -63.978281
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -8.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -144.881886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.881886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.881886 (E_RNA)
where:
Base-Base interactions energy: -75.388
where: short stacking energy: -44.156
Base-Backbone interact. energy: -0.131
local terms energy: -69.363009
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -7.001
tors. eta vs tors. theta energy: -13.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -93.068406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.068406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.068406 (E_RNA)
where:
Base-Base interactions energy: -42.643
where: short stacking energy: -11.448
Base-Backbone interact. energy: 0.270
local terms energy: -50.695694
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: 2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -95.614554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.614554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.614554 (E_RNA)
where:
Base-Base interactions energy: -35.463
where: short stacking energy: -31.854
Base-Backbone interact. energy: -0.011
local terms energy: -60.140251
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -5.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -77.650871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.650871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.650871 (E_RNA)
where:
Base-Base interactions energy: -37.720
where: short stacking energy: -37.720
Base-Backbone interact. energy: -0.098
local terms energy: -39.832244
where:
bonds (distance) C4'-P energy: -9.990
bonds (distance) P-C4' energy: -10.790
flat angles C4'-P-C4' energy: -3.926
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -5.637
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: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -76.527191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.527191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.527191 (E_RNA)
where:
Base-Base interactions energy: -23.283
where: short stacking energy: -21.971
Base-Backbone interact. energy: 1.290
local terms energy: -54.534361
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -10.628
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -5.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -223.384052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.384052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.384052 (E_RNA)
where:
Base-Base interactions energy: -146.293
where: short stacking energy: -62.475
Base-Backbone interact. energy: -0.102
local terms energy: -76.988498
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -18.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -215.937202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.937202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.937202 (E_RNA)
where:
Base-Base interactions energy: -139.627
where: short stacking energy: -64.383
Base-Backbone interact. energy: -0.285
local terms energy: -76.025113
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -17.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -218.126131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.126131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.126131 (E_RNA)
where:
Base-Base interactions energy: -141.210
where: short stacking energy: -59.366
Base-Backbone interact. energy: -0.152
local terms energy: -76.763866
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -19.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -190.589634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.589634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.589634 (E_RNA)
where:
Base-Base interactions energy: -127.550
where: short stacking energy: -51.837
Base-Backbone interact. energy: -0.113
local terms energy: -62.927341
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -13.272
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: 5, replica: 3
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -192.157945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.157945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.157945 (E_RNA)
where:
Base-Base interactions energy: -124.568
where: short stacking energy: -59.659
Base-Backbone interact. energy: -0.073
local terms energy: -67.516030
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -16.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -136.576605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.576605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.576605 (E_RNA)
where:
Base-Base interactions energy: -79.243
where: short stacking energy: -39.261
Base-Backbone interact. energy: -1.656
local terms energy: -55.678134
where:
bonds (distance) C4'-P energy: -5.831
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -7.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -96.020406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.020406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.020406 (E_RNA)
where:
Base-Base interactions energy: -40.494
where: short stacking energy: -39.267
Base-Backbone interact. energy: -0.083
local terms energy: -55.443282
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -6.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -100.200460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.200460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.200460 (E_RNA)
where:
Base-Base interactions energy: -45.301
where: short stacking energy: -41.675
Base-Backbone interact. energy: -0.051
local terms energy: -54.848867
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -7.828
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -9.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -82.825254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.825254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.825254 (E_RNA)
where:
Base-Base interactions energy: -29.790
where: short stacking energy: -28.181
Base-Backbone interact. energy: 0.736
local terms energy: -53.771447
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -0.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -70.075650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.075650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.075650 (E_RNA)
where:
Base-Base interactions energy: -28.184
where: short stacking energy: -17.355
Base-Backbone interact. energy: -0.090
local terms energy: -41.801396
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -9.335
flat angles P-C4'-P energy: -4.469
tors. eta vs tors. theta energy: -1.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -211.774419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.774419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.774419 (E_RNA)
where:
Base-Base interactions energy: -137.759
where: short stacking energy: -66.418
Base-Backbone interact. energy: -0.111
local terms energy: -73.903787
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -18.067
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -16.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -230.249553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.249553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.249553 (E_RNA)
where:
Base-Base interactions energy: -146.243
where: short stacking energy: -78.238
Base-Backbone interact. energy: -0.005
local terms energy: -84.001693
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -17.671
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -21.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -221.905010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.905010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.905010 (E_RNA)
where:
Base-Base interactions energy: -156.402
where: short stacking energy: -65.357
Base-Backbone interact. energy: -0.313
local terms energy: -65.189398
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -9.005
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -19.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -193.296766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.296766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.296766 (E_RNA)
where:
Base-Base interactions energy: -126.898
where: short stacking energy: -57.752
Base-Backbone interact. energy: -0.080
local terms energy: -66.317983
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -11.336
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -18.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -215.378723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.378723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.378723 (E_RNA)
where:
Base-Base interactions energy: -147.116
where: short stacking energy: -70.994
Base-Backbone interact. energy: -0.418
local terms energy: -67.844417
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -17.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -137.777356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.777356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.777356 (E_RNA)
where:
Base-Base interactions energy: -69.829
where: short stacking energy: -53.000
Base-Backbone interact. energy: -0.077
local terms energy: -67.870563
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -13.794
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -14.016
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: 10
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -89.708109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.708109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.708109 (E_RNA)
where:
Base-Base interactions energy: -34.138
where: short stacking energy: -34.138
Base-Backbone interact. energy: -0.100
local terms energy: -55.470239
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -10.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -84.508077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.508077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.508077 (E_RNA)
where:
Base-Base interactions energy: -39.428
where: short stacking energy: -21.373
Base-Backbone interact. energy: -0.364
local terms energy: -44.715854
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: 6.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -76.587983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.587983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.587983 (E_RNA)
where:
Base-Base interactions energy: -32.008
where: short stacking energy: -16.137
Base-Backbone interact. energy: -0.186
local terms energy: -44.393566
where:
bonds (distance) C4'-P energy: -8.807
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: 3.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -70.479700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.479700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.479700 (E_RNA)
where:
Base-Base interactions energy: -22.134
where: short stacking energy: -21.274
Base-Backbone interact. energy: -0.362
local terms energy: -47.983291
where:
bonds (distance) C4'-P energy: -9.881
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -8.742
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -2.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -211.335494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.335494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.335494 (E_RNA)
where:
Base-Base interactions energy: -137.315
where: short stacking energy: -54.931
Base-Backbone interact. energy: -0.026
local terms energy: -73.994566
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -16.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -217.341511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.341511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.341511 (E_RNA)
where:
Base-Base interactions energy: -146.470
where: short stacking energy: -60.640
Base-Backbone interact. energy: -0.371
local terms energy: -70.500506
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -18.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -212.523978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.523978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.523978 (E_RNA)
where:
Base-Base interactions energy: -138.056
where: short stacking energy: -70.749
Base-Backbone interact. energy: -0.006
local terms energy: -74.462567
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -20.199
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: 4, replica: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -210.810418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.810418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.810418 (E_RNA)
where:
Base-Base interactions energy: -143.965
where: short stacking energy: -72.107
Base-Backbone interact. energy: -0.024
local terms energy: -66.822169
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -10.804
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: -20.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -196.931172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.931172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.931172 (E_RNA)
where:
Base-Base interactions energy: -133.575
where: short stacking energy: -57.946
Base-Backbone interact. energy: 0.441
local terms energy: -63.796879
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -10.386
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -15.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -86.160632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.160632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.160632 (E_RNA)
where:
Base-Base interactions energy: -35.370
where: short stacking energy: -29.646
Base-Backbone interact. energy: 0.230
local terms energy: -51.020635
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -5.154
tors. eta vs tors. theta energy: -3.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -94.438644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.438644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.438644 (E_RNA)
where:
Base-Base interactions energy: -45.898
where: short stacking energy: -33.623
Base-Backbone interact. energy: 0.157
local terms energy: -48.697176
where:
bonds (distance) C4'-P energy: -10.779
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -3.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -83.361051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.361051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.361051 (E_RNA)
where:
Base-Base interactions energy: -37.664
where: short stacking energy: -33.637
Base-Backbone interact. energy: -1.063
local terms energy: -44.633666
where:
bonds (distance) C4'-P energy: -7.002
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -6.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -83.721760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.721760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.721760 (E_RNA)
where:
Base-Base interactions energy: -38.322
where: short stacking energy: -25.224
Base-Backbone interact. energy: -0.113
local terms energy: -45.287191
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -7.154
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -0.589
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: 10, replica: 1
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -78.466803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.466803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.466803 (E_RNA)
where:
Base-Base interactions energy: -26.602
where: short stacking energy: -27.202
Base-Backbone interact. energy: -0.003
local terms energy: -51.861672
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -8.717
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -10.728
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: 7
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -219.623748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.623748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.623748 (E_RNA)
where:
Base-Base interactions energy: -143.345
where: short stacking energy: -59.921
Base-Backbone interact. energy: -0.101
local terms energy: -76.177365
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -16.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -216.818685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.818685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.818685 (E_RNA)
where:
Base-Base interactions energy: -139.497
where: short stacking energy: -57.833
Base-Backbone interact. energy: -0.005
local terms energy: -77.316507
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -18.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -217.429382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.429382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.429382 (E_RNA)
where:
Base-Base interactions energy: -151.065
where: short stacking energy: -68.150
Base-Backbone interact. energy: 0.074
local terms energy: -66.438435
where:
bonds (distance) C4'-P energy: -10.411
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -17.819
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: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -210.379817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.379817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.379817 (E_RNA)
where:
Base-Base interactions energy: -139.574
where: short stacking energy: -63.956
Base-Backbone interact. energy: -0.012
local terms energy: -70.794188
where:
bonds (distance) C4'-P energy: -10.768
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -20.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -194.053068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.053068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.053068 (E_RNA)
where:
Base-Base interactions energy: -125.168
where: short stacking energy: -63.117
Base-Backbone interact. energy: -0.495
local terms energy: -68.389741
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -17.603
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -5.839
tors. eta vs tors. theta energy: -17.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -101.458858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.458858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.458858 (E_RNA)
where:
Base-Base interactions energy: -44.518
where: short stacking energy: -28.045
Base-Backbone interact. energy: -0.096
local terms energy: -56.845190
where:
bonds (distance) C4'-P energy: -12.263
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -5.608
tors. eta vs tors. theta energy: -5.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -97.597449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.597449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.597449 (E_RNA)
where:
Base-Base interactions energy: -44.156
where: short stacking energy: -28.532
Base-Backbone interact. energy: -0.461
local terms energy: -52.981066
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -5.142
tors. eta vs tors. theta energy: -3.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -92.396765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.396765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.396765 (E_RNA)
where:
Base-Base interactions energy: -43.516
where: short stacking energy: -29.603
Base-Backbone interact. energy: -0.018
local terms energy: -48.863644
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -10.378
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -3.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -81.504174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.504174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.504174 (E_RNA)
where:
Base-Base interactions energy: -24.186
where: short stacking energy: -21.027
Base-Backbone interact. energy: -0.075
local terms energy: -57.243450
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -5.667
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: 268
Temperature: 1.350000
Total energy: -79.014558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.014558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.014558 (E_RNA)
where:
Base-Base interactions energy: -30.687
where: short stacking energy: -30.687
Base-Backbone interact. energy: -0.869
local terms energy: -47.458956
where:
bonds (distance) C4'-P energy: -10.059
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -0.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -223.735283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.735283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.735283 (E_RNA)
where:
Base-Base interactions energy: -150.606
where: short stacking energy: -65.255
Base-Backbone interact. energy: -0.165
local terms energy: -72.964547
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -19.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -217.700840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.700840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.700840 (E_RNA)
where:
Base-Base interactions energy: -146.752
where: short stacking energy: -69.341
Base-Backbone interact. energy: -0.004
local terms energy: -70.944160
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -20.807
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: 4
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -211.182479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.182479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.182479 (E_RNA)
where:
Base-Base interactions energy: -134.027
where: short stacking energy: -58.747
Base-Backbone interact. energy: -0.011
local terms energy: -77.144673
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -20.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -208.071634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.071634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.071634 (E_RNA)
where:
Base-Base interactions energy: -141.001
where: short stacking energy: -56.233
Base-Backbone interact. energy: 0.205
local terms energy: -67.275771
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -17.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -204.188672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.188672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.188672 (E_RNA)
where:
Base-Base interactions energy: -132.020
where: short stacking energy: -58.996
Base-Backbone interact. energy: -0.073
local terms energy: -72.095374
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -19.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -101.797962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.797962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.797962 (E_RNA)
where:
Base-Base interactions energy: -44.279
where: short stacking energy: -33.922
Base-Backbone interact. energy: -0.029
local terms energy: -57.489875
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -15.901
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -4.239
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: 10
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -103.243933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.243933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.243933 (E_RNA)
where:
Base-Base interactions energy: -48.250
where: short stacking energy: -29.968
Base-Backbone interact. energy: -1.120
local terms energy: -53.873926
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -10.837
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -6.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -81.238609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.238609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.238609 (E_RNA)
where:
Base-Base interactions energy: -30.628
where: short stacking energy: -19.876
Base-Backbone interact. energy: -0.431
local terms energy: -50.180186
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -0.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -82.634988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.634988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.634988 (E_RNA)
where:
Base-Base interactions energy: -40.540
where: short stacking energy: -26.974
Base-Backbone interact. energy: -0.256
local terms energy: -41.839211
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -9.566
flat angles P-C4'-P energy: -3.696
tors. eta vs tors. theta energy: 0.573
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: 10, replica: 9
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -74.482729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.482729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.482729 (E_RNA)
where:
Base-Base interactions energy: -26.992
where: short stacking energy: -26.992
Base-Backbone interact. energy: 0.248
local terms energy: -47.738130
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -4.581
tors. eta vs tors. theta energy: -2.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -219.667237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.667237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.667237 (E_RNA)
where:
Base-Base interactions energy: -150.555
where: short stacking energy: -69.227
Base-Backbone interact. energy: -0.002
local terms energy: -69.110082
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -6.532
tors. eta vs tors. theta energy: -19.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -213.102124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.102124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.102124 (E_RNA)
where:
Base-Base interactions energy: -143.750
where: short stacking energy: -56.006
Base-Backbone interact. energy: -0.071
local terms energy: -69.281032
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -16.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -205.322473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.322473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.322473 (E_RNA)
where:
Base-Base interactions energy: -131.521
where: short stacking energy: -57.748
Base-Backbone interact. energy: -0.031
local terms energy: -73.770650
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -18.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -205.849773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.849773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.849773 (E_RNA)
where:
Base-Base interactions energy: -135.929
where: short stacking energy: -65.165
Base-Backbone interact. energy: -0.006
local terms energy: -69.914915
where:
bonds (distance) C4'-P energy: -15.913
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -20.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -213.348758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.348758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.348758 (E_RNA)
where:
Base-Base interactions energy: -144.845
where: short stacking energy: -63.855
Base-Backbone interact. energy: -0.197
local terms energy: -68.306932
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -12.657
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -20.830
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: 6, replica: 6
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -110.347867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.347867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.347867 (E_RNA)
where:
Base-Base interactions energy: -60.075
where: short stacking energy: -30.054
Base-Backbone interact. energy: -0.107
local terms energy: -50.165715
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -10.663
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -6.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -92.790695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.790695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.790695 (E_RNA)
where:
Base-Base interactions energy: -38.007
where: short stacking energy: -25.128
Base-Backbone interact. energy: -0.100
local terms energy: -54.684027
where:
bonds (distance) C4'-P energy: -9.963
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -7.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -85.783216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.783216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.783216 (E_RNA)
where:
Base-Base interactions energy: -36.970
where: short stacking energy: -21.035
Base-Backbone interact. energy: -2.552
local terms energy: -46.260984
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -10.242
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -3.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -67.214085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.214085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.214085 (E_RNA)
where:
Base-Base interactions energy: -23.906
where: short stacking energy: -14.486
Base-Backbone interact. energy: -0.049
local terms energy: -43.258367
where:
bonds (distance) C4'-P energy: -8.892
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: 5.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -86.455319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.455319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.455319 (E_RNA)
where:
Base-Base interactions energy: -37.565
where: short stacking energy: -28.261
Base-Backbone interact. energy: -0.187
local terms energy: -48.703980
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -4.484
tors. eta vs tors. theta energy: -3.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -224.641922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.641922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.641922 (E_RNA)
where:
Base-Base interactions energy: -146.305
where: short stacking energy: -68.933
Base-Backbone interact. energy: -0.014
local terms energy: -78.322601
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -5.373
tors. eta vs tors. theta energy: -21.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -217.035153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.035153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.035153 (E_RNA)
where:
Base-Base interactions energy: -143.236
where: short stacking energy: -65.837
Base-Backbone interact. energy: -0.051
local terms energy: -73.748596
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -20.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -208.678757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.678757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.678757 (E_RNA)
where:
Base-Base interactions energy: -134.503
where: short stacking energy: -62.112
Base-Backbone interact. energy: -0.068
local terms energy: -74.108057
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -19.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -200.528251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.528251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.528251 (E_RNA)
where:
Base-Base interactions energy: -128.286
where: short stacking energy: -60.811
Base-Backbone interact. energy: -0.100
local terms energy: -72.141717
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -16.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -204.697790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.697790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.697790 (E_RNA)
where:
Base-Base interactions energy: -132.634
where: short stacking energy: -63.867
Base-Backbone interact. energy: -0.020
local terms energy: -72.044255
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -19.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -107.347263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.347263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.347263 (E_RNA)
where:
Base-Base interactions energy: -57.479
where: short stacking energy: -28.415
Base-Backbone interact. energy: -0.255
local terms energy: -49.612530
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -11.589
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -0.271
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: 6
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -99.356586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.356586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.356586 (E_RNA)
where:
Base-Base interactions energy: -47.467
where: short stacking energy: -26.024
Base-Backbone interact. energy: -1.630
local terms energy: -50.259246
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -7.877
flat angles P-C4'-P energy: -11.437
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: 8, replica: 9
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -93.246857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.246857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.246857 (E_RNA)
where:
Base-Base interactions energy: -41.431
where: short stacking energy: -26.079
Base-Backbone interact. energy: -0.124
local terms energy: -51.691771
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -5.658
tors. eta vs tors. theta energy: -3.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -73.508212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.508212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.508212 (E_RNA)
where:
Base-Base interactions energy: -28.629
where: short stacking energy: -21.145
Base-Backbone interact. energy: 0.411
local terms energy: -45.290816
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -6.751
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -3.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -78.264175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.264175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.264175 (E_RNA)
where:
Base-Base interactions energy: -27.667
where: short stacking energy: -26.565
Base-Backbone interact. energy: -0.174
local terms energy: -50.423403
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: 2.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -219.992873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.992873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.992873 (E_RNA)
where:
Base-Base interactions energy: -149.994
where: short stacking energy: -65.064
Base-Backbone interact. energy: -0.025
local terms energy: -69.973853
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -19.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -206.653051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.653051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.653051 (E_RNA)
where:
Base-Base interactions energy: -137.639
where: short stacking energy: -57.951
Base-Backbone interact. energy: -0.102
local terms energy: -68.911847
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -16.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -211.148883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.148883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.148883 (E_RNA)
where:
Base-Base interactions energy: -147.349
where: short stacking energy: -59.030
Base-Backbone interact. energy: -0.090
local terms energy: -63.709631
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -9.301
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -18.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -203.677480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.677480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.677480 (E_RNA)
where:
Base-Base interactions energy: -137.590
where: short stacking energy: -53.726
Base-Backbone interact. energy: -0.777
local terms energy: -65.310983
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -14.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -213.220983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.220983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.220983 (E_RNA)
where:
Base-Base interactions energy: -145.702
where: short stacking energy: -63.285
Base-Backbone interact. energy: -0.001
local terms energy: -67.517905
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -11.039
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -16.927
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: 1
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -90.579829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.579829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.579829 (E_RNA)
where:
Base-Base interactions energy: -38.620
where: short stacking energy: -35.516
Base-Backbone interact. energy: -0.169
local terms energy: -51.790302
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -11.111
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -5.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -107.369573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.369573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.369573 (E_RNA)
where:
Base-Base interactions energy: -48.430
where: short stacking energy: -45.424
Base-Backbone interact. energy: -0.191
local terms energy: -58.748775
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -4.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -86.786356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.786356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.786356 (E_RNA)
where:
Base-Base interactions energy: -36.730
where: short stacking energy: -33.428
Base-Backbone interact. energy: -0.584
local terms energy: -49.471768
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -0.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -81.801811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.801811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.801811 (E_RNA)
where:
Base-Base interactions energy: -32.602
where: short stacking energy: -32.602
Base-Backbone interact. energy: -0.044
local terms energy: -49.155186
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -10.110
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -3.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -75.726518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.726518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.726518 (E_RNA)
where:
Base-Base interactions energy: -34.404
where: short stacking energy: -21.995
Base-Backbone interact. energy: -0.262
local terms energy: -41.060596
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -8.171
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -2.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -229.264669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.264669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.264669 (E_RNA)
where:
Base-Base interactions energy: -153.002
where: short stacking energy: -68.949
Base-Backbone interact. energy: -0.104
local terms energy: -76.158835
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -14.845
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -22.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -221.923051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.923051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.923051 (E_RNA)
where:
Base-Base interactions energy: -153.488
where: short stacking energy: -70.590
Base-Backbone interact. energy: 0.282
local terms energy: -68.717380
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -9.425
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -18.293
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: 3, replica: 4
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -203.028619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.028619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.028619 (E_RNA)
where:
Base-Base interactions energy: -131.516
where: short stacking energy: -53.779
Base-Backbone interact. energy: 0.614
local terms energy: -72.127131
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -12.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -199.518123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.518123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.518123 (E_RNA)
where:
Base-Base interactions energy: -131.531
where: short stacking energy: -59.126
Base-Backbone interact. energy: 0.117
local terms energy: -68.104257
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -19.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -206.108631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.108631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.108631 (E_RNA)
where:
Base-Base interactions energy: -139.261
where: short stacking energy: -67.334
Base-Backbone interact. energy: -0.034
local terms energy: -66.813870
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -13.031
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -17.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -92.889843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.889843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.889843 (E_RNA)
where:
Base-Base interactions energy: -37.538
where: short stacking energy: -35.414
Base-Backbone interact. energy: -0.124
local terms energy: -55.227838
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -13.152
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -6.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -89.759197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.759197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.759197 (E_RNA)
where:
Base-Base interactions energy: -29.680
where: short stacking energy: -22.803
Base-Backbone interact. energy: -0.234
local terms energy: -59.845857
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -6.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -81.843308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.843308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.843308 (E_RNA)
where:
Base-Base interactions energy: -29.915
where: short stacking energy: -29.915
Base-Backbone interact. energy: -0.260
local terms energy: -51.668127
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -6.134
tors. eta vs tors. theta energy: -2.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -108.616798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.616798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.616798 (E_RNA)
where:
Base-Base interactions energy: -59.686
where: short stacking energy: -30.288
Base-Backbone interact. energy: -0.179
local terms energy: -48.752270
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -9.846
flat angles C4'-P-C4' energy: -6.806
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -4.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -99.835180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.835180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.835180 (E_RNA)
where:
Base-Base interactions energy: -60.412
where: short stacking energy: -33.122
Base-Backbone interact. energy: -0.118
local terms energy: -39.304815
where:
bonds (distance) C4'-P energy: -8.382
bonds (distance) P-C4' energy: -11.516
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -4.790
tors. eta vs tors. theta energy: -1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -223.140514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.140514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.140514 (E_RNA)
where:
Base-Base interactions energy: -148.393
where: short stacking energy: -69.967
Base-Backbone interact. energy: -0.001
local terms energy: -74.746240
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -20.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -222.721918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.721918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.721918 (E_RNA)
where:
Base-Base interactions energy: -152.596
where: short stacking energy: -67.551
Base-Backbone interact. energy: -0.015
local terms energy: -70.110628
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -9.955
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -20.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -201.244810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.244810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.244810 (E_RNA)
where:
Base-Base interactions energy: -128.700
where: short stacking energy: -60.438
Base-Backbone interact. energy: -0.119
local terms energy: -72.425298
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -10.243
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -20.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -199.371286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.371286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.371286 (E_RNA)
where:
Base-Base interactions energy: -129.689
where: short stacking energy: -52.930
Base-Backbone interact. energy: -0.239
local terms energy: -69.443589
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -12.678
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: 2
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -212.612605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.612605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.612605 (E_RNA)
where:
Base-Base interactions energy: -139.444
where: short stacking energy: -59.650
Base-Backbone interact. energy: -0.085
local terms energy: -73.083677
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -18.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -94.502621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.502621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.502621 (E_RNA)
where:
Base-Base interactions energy: -36.807
where: short stacking energy: -36.807
Base-Backbone interact. energy: -0.021
local terms energy: -57.674117
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -4.832
tors. eta vs tors. theta energy: -5.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -89.550586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.550586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.550586 (E_RNA)
where:
Base-Base interactions energy: -44.762
where: short stacking energy: -23.116
Base-Backbone interact. energy: -0.338
local terms energy: -44.450377
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -6.943
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -2.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -92.511553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.511553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.511553 (E_RNA)
where:
Base-Base interactions energy: -36.730
where: short stacking energy: -17.003
Base-Backbone interact. energy: -0.280
local terms energy: -55.501724
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -7.136
tors. eta vs tors. theta energy: -0.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -79.888228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.888228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.888228 (E_RNA)
where:
Base-Base interactions energy: -43.582
where: short stacking energy: -28.657
Base-Backbone interact. energy: -0.354
local terms energy: -35.952396
where:
bonds (distance) C4'-P energy: -9.571
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -5.628
flat angles P-C4'-P energy: -5.960
tors. eta vs tors. theta energy: -1.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -96.264619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.264619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.264619 (E_RNA)
where:
Base-Base interactions energy: -51.641
where: short stacking energy: -31.441
Base-Backbone interact. energy: 2.667
local terms energy: -47.290718
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -10.083
flat angles P-C4'-P energy: -4.451
tors. eta vs tors. theta energy: -2.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -232.439672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.439672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.439672 (E_RNA)
where:
Base-Base interactions energy: -162.347
where: short stacking energy: -71.424
Base-Backbone interact. energy: 0.867
local terms energy: -70.959886
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -16.115
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: 7
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -215.764225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.764225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.764225 (E_RNA)
where:
Base-Base interactions energy: -145.930
where: short stacking energy: -63.046
Base-Backbone interact. energy: -0.002
local terms energy: -69.832371
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -15.392
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: 3
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -217.310871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.310871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.310871 (E_RNA)
where:
Base-Base interactions energy: -136.695
where: short stacking energy: -59.105
Base-Backbone interact. energy: -0.341
local terms energy: -80.274377
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -21.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -215.359742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.359742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.359742 (E_RNA)
where:
Base-Base interactions energy: -147.314
where: short stacking energy: -65.246
Base-Backbone interact. energy: -0.096
local terms energy: -67.949856
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -18.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -197.198712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.198712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.198712 (E_RNA)
where:
Base-Base interactions energy: -131.786
where: short stacking energy: -54.954
Base-Backbone interact. energy: -0.120
local terms energy: -65.293072
where:
bonds (distance) C4'-P energy: -8.416
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -13.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -83.381010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.381010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.381010 (E_RNA)
where:
Base-Base interactions energy: -35.160
where: short stacking energy: -28.388
Base-Backbone interact. energy: -0.176
local terms energy: -48.044514
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -10.206
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -2.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -94.313184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.313184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.313184 (E_RNA)
where:
Base-Base interactions energy: -32.572
where: short stacking energy: -31.734
Base-Backbone interact. energy: -0.270
local terms energy: -61.471304
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -9.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -79.555695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.555695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.555695 (E_RNA)
where:
Base-Base interactions energy: -29.006
where: short stacking energy: -19.059
Base-Backbone interact. energy: -0.155
local terms energy: -50.394889
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: 0.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -88.643390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.643390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.643390 (E_RNA)
where:
Base-Base interactions energy: -34.221
where: short stacking energy: -26.820
Base-Backbone interact. energy: 2.502
local terms energy: -56.924474
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -5.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -73.640726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.640726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.640726 (E_RNA)
where:
Base-Base interactions energy: -32.028
where: short stacking energy: -30.597
Base-Backbone interact. energy: 2.206
local terms energy: -43.818850
where:
bonds (distance) C4'-P energy: -7.977
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -0.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -227.206037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.206037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.206037 (E_RNA)
where:
Base-Base interactions energy: -152.266
where: short stacking energy: -69.334
Base-Backbone interact. energy: 0.290
local terms energy: -75.230619
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -18.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -222.661247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.661247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.661247 (E_RNA)
where:
Base-Base interactions energy: -153.798
where: short stacking energy: -67.478
Base-Backbone interact. energy: 0.421
local terms energy: -69.284281
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -16.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -217.959643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.959643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.959643 (E_RNA)
where:
Base-Base interactions energy: -147.317
where: short stacking energy: -64.630
Base-Backbone interact. energy: -0.051
local terms energy: -70.591738
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -5.506
tors. eta vs tors. theta energy: -18.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -206.848817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.848817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.848817 (E_RNA)
where:
Base-Base interactions energy: -134.237
where: short stacking energy: -66.739
Base-Backbone interact. energy: -0.004
local terms energy: -72.607330
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -19.083
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: 276
Temperature: 1.100000
Total energy: -195.986285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.986285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.986285 (E_RNA)
where:
Base-Base interactions energy: -131.603
where: short stacking energy: -46.605
Base-Backbone interact. energy: -0.024
local terms energy: -64.359474
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -14.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -87.486930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.486930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.486930 (E_RNA)
where:
Base-Base interactions energy: -32.588
where: short stacking energy: -29.329
Base-Backbone interact. energy: -0.129
local terms energy: -54.770045
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -4.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -89.534894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.534894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.534894 (E_RNA)
where:
Base-Base interactions energy: -33.030
where: short stacking energy: -30.007
Base-Backbone interact. energy: -0.071
local terms energy: -56.434106
where:
bonds (distance) C4'-P energy: -9.852
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -4.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -78.318957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.318957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.318957 (E_RNA)
where:
Base-Base interactions energy: -33.787
where: short stacking energy: -26.022
Base-Backbone interact. energy: -0.543
local terms energy: -43.988955
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -6.995
flat angles P-C4'-P energy: -5.660
tors. eta vs tors. theta energy: -1.670
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: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -75.719846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.719846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.719846 (E_RNA)
where:
Base-Base interactions energy: -25.398
where: short stacking energy: -20.502
Base-Backbone interact. energy: -0.066
local terms energy: -50.255228
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: 2.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -82.068492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.068492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.068492 (E_RNA)
where:
Base-Base interactions energy: -33.450
where: short stacking energy: -33.450
Base-Backbone interact. energy: -0.210
local terms energy: -48.408528
where:
bonds (distance) C4'-P energy: -8.033
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -10.050
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -6.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -223.562138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.562138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.562138 (E_RNA)
where:
Base-Base interactions energy: -147.189
where: short stacking energy: -70.486
Base-Backbone interact. energy: -0.002
local terms energy: -76.371001
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -12.280
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -18.738
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: 7
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -214.590506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.590506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.590506 (E_RNA)
where:
Base-Base interactions energy: -152.407
where: short stacking energy: -65.672
Base-Backbone interact. energy: 0.841
local terms energy: -63.024906
where:
bonds (distance) C4'-P energy: -9.205
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -17.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -214.409770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.409770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.409770 (E_RNA)
where:
Base-Base interactions energy: -148.769
where: short stacking energy: -67.783
Base-Backbone interact. energy: -0.067
local terms energy: -65.573863
where:
bonds (distance) C4'-P energy: -6.729
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: -21.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -212.562803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.562803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.562803 (E_RNA)
where:
Base-Base interactions energy: -134.002
where: short stacking energy: -66.673
Base-Backbone interact. energy: -0.073
local terms energy: -78.488447
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -21.455
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: 4
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -197.090052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.090052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.090052 (E_RNA)
where:
Base-Base interactions energy: -130.603
where: short stacking energy: -59.164
Base-Backbone interact. energy: -0.001
local terms energy: -66.485668
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -16.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -102.980739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.980739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.980739 (E_RNA)
where:
Base-Base interactions energy: -38.710
where: short stacking energy: -38.710
Base-Backbone interact. energy: -0.063
local terms energy: -64.208377
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -8.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -83.951579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.951579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.951579 (E_RNA)
where:
Base-Base interactions energy: -34.816
where: short stacking energy: -25.044
Base-Backbone interact. energy: -0.250
local terms energy: -48.886079
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -12.664
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -2.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -93.944576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.944576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.944576 (E_RNA)
where:
Base-Base interactions energy: -41.850
where: short stacking energy: -29.382
Base-Backbone interact. energy: -0.275
local terms energy: -51.819740
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -11.868
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -4.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -72.580502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.580502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.580502 (E_RNA)
where:
Base-Base interactions energy: -24.667
where: short stacking energy: -17.345
Base-Backbone interact. energy: -0.382
local terms energy: -47.530925
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: 2.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -90.929596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.929596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.929596 (E_RNA)
where:
Base-Base interactions energy: -30.234
where: short stacking energy: -28.249
Base-Backbone interact. energy: -0.101
local terms energy: -60.594592
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -5.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -221.573452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.573452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.573452 (E_RNA)
where:
Base-Base interactions energy: -149.400
where: short stacking energy: -65.292
Base-Backbone interact. energy: 1.051
local terms energy: -73.224495
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -16.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -224.128079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.128079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.128079 (E_RNA)
where:
Base-Base interactions energy: -156.039
where: short stacking energy: -68.096
Base-Backbone interact. energy: -0.104
local terms energy: -67.985431
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -10.794
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -18.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -220.949312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.949312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.949312 (E_RNA)
where:
Base-Base interactions energy: -144.110
where: short stacking energy: -66.787
Base-Backbone interact. energy: -0.003
local terms energy: -76.836137
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -19.570
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: 4, replica: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -213.039722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.039722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.039722 (E_RNA)
where:
Base-Base interactions energy: -144.917
where: short stacking energy: -68.505
Base-Backbone interact. energy: -0.021
local terms energy: -68.101670
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -18.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -192.221172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.221172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.221172 (E_RNA)
where:
Base-Base interactions energy: -120.866
where: short stacking energy: -48.820
Base-Backbone interact. energy: -0.196
local terms energy: -71.159570
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -16.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -93.211751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.211751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.211751 (E_RNA)
where:
Base-Base interactions energy: -41.233
where: short stacking energy: -27.002
Base-Backbone interact. energy: -1.381
local terms energy: -50.598011
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -0.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -81.969473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.969473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.969473 (E_RNA)
where:
Base-Base interactions energy: -36.714
where: short stacking energy: -31.355
Base-Backbone interact. energy: 1.148
local terms energy: -46.402861
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: 0.486
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: 278
Temperature: 1.250000
Total energy: -115.033539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.033539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.033539 (E_RNA)
where:
Base-Base interactions energy: -60.944
where: short stacking energy: -33.256
Base-Backbone interact. energy: -0.024
local terms energy: -54.066023
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -7.927
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -7.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -78.838794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.838794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.838794 (E_RNA)
where:
Base-Base interactions energy: -33.878
where: short stacking energy: -22.645
Base-Backbone interact. energy: 0.751
local terms energy: -45.711788
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -3.086
tors. eta vs tors. theta energy: 0.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -92.119891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.119891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.119891 (E_RNA)
where:
Base-Base interactions energy: -38.206
where: short stacking energy: -38.206
Base-Backbone interact. energy: -0.003
local terms energy: -53.911856
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -5.464
tors. eta vs tors. theta energy: -6.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -228.429656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.429656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.429656 (E_RNA)
where:
Base-Base interactions energy: -157.672
where: short stacking energy: -64.646
Base-Backbone interact. energy: -0.162
local terms energy: -70.595512
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -17.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -225.235913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.235913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.235913 (E_RNA)
where:
Base-Base interactions energy: -150.323
where: short stacking energy: -71.043
Base-Backbone interact. energy: -0.002
local terms energy: -74.911104
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -18.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -217.661586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.661586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.661586 (E_RNA)
where:
Base-Base interactions energy: -144.050
where: short stacking energy: -68.347
Base-Backbone interact. energy: -0.001
local terms energy: -73.610511
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -20.742
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: 3
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -210.652836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.652836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.652836 (E_RNA)
where:
Base-Base interactions energy: -132.003
where: short stacking energy: -67.011
Base-Backbone interact. energy: -0.295
local terms energy: -78.354816
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -19.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -208.421063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.421063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.421063 (E_RNA)
where:
Base-Base interactions energy: -133.858
where: short stacking energy: -60.262
Base-Backbone interact. energy: -0.081
local terms energy: -74.482534
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -15.721
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -18.813
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: 6
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -121.214359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.214359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.214359 (E_RNA)
where:
Base-Base interactions energy: -66.564
where: short stacking energy: -38.555
Base-Backbone interact. energy: 0.092
local terms energy: -54.742355
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -11.501
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -11.338
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: 7, replica: 10
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -92.108341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.108341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.108341 (E_RNA)
where:
Base-Base interactions energy: -44.068
where: short stacking energy: -34.047
Base-Backbone interact. energy: 0.788
local terms energy: -48.828869
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -9.666
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -6.915
tors. eta vs tors. theta energy: -5.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -89.806449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.806449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.806449 (E_RNA)
where:
Base-Base interactions energy: -34.875
where: short stacking energy: -28.076
Base-Backbone interact. energy: 0.371
local terms energy: -55.302366
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -8.064
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -5.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -93.201773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.201773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.201773 (E_RNA)
where:
Base-Base interactions energy: -41.413
where: short stacking energy: -26.257
Base-Backbone interact. energy: -0.473
local terms energy: -51.315809
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -5.953
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: 279
Temperature: 1.350000
Total energy: -78.152507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.152507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.152507 (E_RNA)
where:
Base-Base interactions energy: -24.214
where: short stacking energy: -24.214
Base-Backbone interact. energy: -0.053
local terms energy: -53.886065
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -3.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -225.893087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.893087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.893087 (E_RNA)
where:
Base-Base interactions energy: -145.525
where: short stacking energy: -76.909
Base-Backbone interact. energy: 0.327
local terms energy: -80.695129
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -22.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -218.190205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.190205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.190205 (E_RNA)
where:
Base-Base interactions energy: -146.990
where: short stacking energy: -65.174
Base-Backbone interact. energy: -0.003
local terms energy: -71.197035
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -19.160
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: 3
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -218.608330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.608330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.608330 (E_RNA)
where:
Base-Base interactions energy: -147.386
where: short stacking energy: -62.595
Base-Backbone interact. energy: -0.076
local terms energy: -71.145543
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -19.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -221.920559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.920559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.920559 (E_RNA)
where:
Base-Base interactions energy: -151.702
where: short stacking energy: -72.868
Base-Backbone interact. energy: -0.122
local terms energy: -70.095983
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -18.128
flat angles P-C4'-P energy: -3.892
tors. eta vs tors. theta energy: -21.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -196.758994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.758994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.758994 (E_RNA)
where:
Base-Base interactions energy: -128.751
where: short stacking energy: -56.321
Base-Backbone interact. energy: -0.472
local terms energy: -67.536412
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -14.907
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: 6
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -146.260791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.260791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.260791 (E_RNA)
where:
Base-Base interactions energy: -80.356
where: short stacking energy: -44.854
Base-Backbone interact. energy: -0.784
local terms energy: -65.120703
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -11.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -90.737986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.737986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.737986 (E_RNA)
where:
Base-Base interactions energy: -38.341
where: short stacking energy: -27.914
Base-Backbone interact. energy: -1.025
local terms energy: -51.371683
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -91.572246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.572246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.572246 (E_RNA)
where:
Base-Base interactions energy: -31.874
where: short stacking energy: -31.590
Base-Backbone interact. energy: -0.147
local terms energy: -59.551005
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -4.679
tors. eta vs tors. theta energy: -6.838
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: 9
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -74.292669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.292669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.292669 (E_RNA)
where:
Base-Base interactions energy: -28.440
where: short stacking energy: -27.533
Base-Backbone interact. energy: -0.254
local terms energy: -45.599172
where:
bonds (distance) C4'-P energy: -8.638
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -10.886
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -3.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -69.091208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.091208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.091208 (E_RNA)
where:
Base-Base interactions energy: -27.075
where: short stacking energy: -24.035
Base-Backbone interact. energy: -0.168
local terms energy: -41.848041
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -6.490
tors. eta vs tors. theta energy: 1.482
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: 1, replica: 7
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -229.280955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.280955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.280955 (E_RNA)
where:
Base-Base interactions energy: -149.424
where: short stacking energy: -72.166
Base-Backbone interact. energy: -0.002
local terms energy: -79.855089
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -17.403
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -19.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -220.598926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.598926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.598926 (E_RNA)
where:
Base-Base interactions energy: -147.201
where: short stacking energy: -64.433
Base-Backbone interact. energy: -0.223
local terms energy: -73.174686
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -11.739
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -20.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -214.319544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.319544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.319544 (E_RNA)
where:
Base-Base interactions energy: -142.518
where: short stacking energy: -51.101
Base-Backbone interact. energy: -0.135
local terms energy: -71.666380
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -15.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -194.602322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.602322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.602322 (E_RNA)
where:
Base-Base interactions energy: -128.112
where: short stacking energy: -58.603
Base-Backbone interact. energy: -1.200
local terms energy: -65.289834
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -16.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -208.142282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.142282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.142282 (E_RNA)
where:
Base-Base interactions energy: -137.367
where: short stacking energy: -61.399
Base-Backbone interact. energy: -0.118
local terms energy: -70.657374
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -11.176
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -20.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -135.270448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.270448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.270448 (E_RNA)
where:
Base-Base interactions energy: -79.712
where: short stacking energy: -54.444
Base-Backbone interact. energy: -0.003
local terms energy: -55.554949
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -6.368
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -15.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -87.776065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.776065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.776065 (E_RNA)
where:
Base-Base interactions energy: -34.515
where: short stacking energy: -34.515
Base-Backbone interact. energy: -0.072
local terms energy: -53.188126
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -0.985
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: 8, replica: 9
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -106.819472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.819472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.819472 (E_RNA)
where:
Base-Base interactions energy: -42.649
where: short stacking energy: -34.420
Base-Backbone interact. energy: -0.074
local terms energy: -64.096475
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -5.519
tors. eta vs tors. theta energy: -8.390
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: 10
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -79.710639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.710639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.710639 (E_RNA)
where:
Base-Base interactions energy: -26.557
where: short stacking energy: -25.893
Base-Backbone interact. energy: -0.385
local terms energy: -52.769128
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -11.217
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -2.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -77.943286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.943286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.943286 (E_RNA)
where:
Base-Base interactions energy: -38.042
where: short stacking energy: -30.219
Base-Backbone interact. energy: -0.084
local terms energy: -39.817272
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: 5.988
tors. eta vs tors. theta energy: -4.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -223.503839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.503839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.503839 (E_RNA)
where:
Base-Base interactions energy: -140.613
where: short stacking energy: -68.236
Base-Backbone interact. energy: -0.012
local terms energy: -82.878308
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -22.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -223.195988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.195988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.195988 (E_RNA)
where:
Base-Base interactions energy: -138.883
where: short stacking energy: -61.227
Base-Backbone interact. energy: -0.284
local terms energy: -84.029542
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -21.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -213.354667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.354667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.354667 (E_RNA)
where:
Base-Base interactions energy: -141.666
where: short stacking energy: -59.793
Base-Backbone interact. energy: -0.003
local terms energy: -71.685974
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -14.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -194.038287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.038287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.038287 (E_RNA)
where:
Base-Base interactions energy: -131.523
where: short stacking energy: -45.094
Base-Backbone interact. energy: -0.140
local terms energy: -62.375044
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -13.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -206.971986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.971986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.971986 (E_RNA)
where:
Base-Base interactions energy: -138.801
where: short stacking energy: -60.879
Base-Backbone interact. energy: -0.196
local terms energy: -67.974759
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -16.956
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: 6, replica: 6
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -88.375647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.375647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.375647 (E_RNA)
where:
Base-Base interactions energy: -29.582
where: short stacking energy: -24.990
Base-Backbone interact. energy: -0.318
local terms energy: -58.475755
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -2.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -99.046516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.046516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.046516 (E_RNA)
where:
Base-Base interactions energy: -48.162
where: short stacking energy: -39.589
Base-Backbone interact. energy: -0.088
local terms energy: -50.796729
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -10.803
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -6.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -87.656684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.656684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.656684 (E_RNA)
where:
Base-Base interactions energy: -34.794
where: short stacking energy: -34.794
Base-Backbone interact. energy: -0.118
local terms energy: -52.744903
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -3.472
tors. eta vs tors. theta energy: -4.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -79.295632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.295632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.295632 (E_RNA)
where:
Base-Base interactions energy: -29.605
where: short stacking energy: -29.605
Base-Backbone interact. energy: -0.082
local terms energy: -49.607927
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -8.576
flat angles P-C4'-P energy: -8.068
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -82.026530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.026530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.026530 (E_RNA)
where:
Base-Base interactions energy: -42.124
where: short stacking energy: -29.171
Base-Backbone interact. energy: -0.239
local terms energy: -39.663293
where:
bonds (distance) C4'-P energy: -6.398
bonds (distance) P-C4' energy: -12.283
flat angles C4'-P-C4' energy: -7.937
flat angles P-C4'-P energy: -10.223
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: 1, replica: 5
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -221.578075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.578075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.578075 (E_RNA)
where:
Base-Base interactions energy: -148.486
where: short stacking energy: -64.728
Base-Backbone interact. energy: -0.101
local terms energy: -72.991484
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -19.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -221.060682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.060682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.060682 (E_RNA)
where:
Base-Base interactions energy: -143.483
where: short stacking energy: -65.805
Base-Backbone interact. energy: -0.083
local terms energy: -77.494501
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -18.454
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: 3, replica: 7
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -212.303779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.303779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.303779 (E_RNA)
where:
Base-Base interactions energy: -139.885
where: short stacking energy: -70.556
Base-Backbone interact. energy: -0.001
local terms energy: -72.418352
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -11.748
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -20.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -206.021083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.021083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.021083 (E_RNA)
where:
Base-Base interactions energy: -135.239
where: short stacking energy: -62.244
Base-Backbone interact. energy: 0.226
local terms energy: -71.008827
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -202.280454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.280454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.280454 (E_RNA)
where:
Base-Base interactions energy: -129.741
where: short stacking energy: -51.168
Base-Backbone interact. energy: -1.199
local terms energy: -71.340536
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -16.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -107.101023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.101023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.101023 (E_RNA)
where:
Base-Base interactions energy: -55.116
where: short stacking energy: -15.604
Base-Backbone interact. energy: -0.138
local terms energy: -51.846860
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -6.271
tors. eta vs tors. theta energy: -0.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -118.776763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.776763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.776763 (E_RNA)
where:
Base-Base interactions energy: -67.879
where: short stacking energy: -33.872
Base-Backbone interact. energy: -0.038
local terms energy: -50.858928
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -12.083
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -6.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -82.734149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.734149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.734149 (E_RNA)
where:
Base-Base interactions energy: -34.558
where: short stacking energy: -34.558
Base-Backbone interact. energy: -0.093
local terms energy: -48.083550
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -11.330
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -76.826944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.826944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.826944 (E_RNA)
where:
Base-Base interactions energy: -24.947
where: short stacking energy: -17.492
Base-Backbone interact. energy: -0.197
local terms energy: -51.683145
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -0.170
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: 10, replica: 10
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -69.603632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.603632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.603632 (E_RNA)
where:
Base-Base interactions energy: -27.004
where: short stacking energy: -27.004
Base-Backbone interact. energy: -0.072
local terms energy: -42.527644
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -2.359
tors. eta vs tors. theta energy: 1.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -224.771687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.771687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.771687 (E_RNA)
where:
Base-Base interactions energy: -146.807
where: short stacking energy: -70.942
Base-Backbone interact. energy: -0.074
local terms energy: -77.890787
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -21.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -226.693485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.693485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.693485 (E_RNA)
where:
Base-Base interactions energy: -149.573
where: short stacking energy: -69.195
Base-Backbone interact. energy: -0.222
local terms energy: -76.898409
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -21.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -203.304071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.304071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.304071 (E_RNA)
where:
Base-Base interactions energy: -136.198
where: short stacking energy: -56.693
Base-Backbone interact. energy: -0.070
local terms energy: -67.036245
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -15.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -211.707147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.707147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.707147 (E_RNA)
where:
Base-Base interactions energy: -144.038
where: short stacking energy: -60.801
Base-Backbone interact. energy: -0.068
local terms energy: -67.601079
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -15.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -191.117657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.117657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.117657 (E_RNA)
where:
Base-Base interactions energy: -127.212
where: short stacking energy: -43.642
Base-Backbone interact. energy: -1.837
local terms energy: -62.068754
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -12.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -109.998253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.998253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.998253 (E_RNA)
where:
Base-Base interactions energy: -63.649
where: short stacking energy: -41.937
Base-Backbone interact. energy: 1.870
local terms energy: -48.218491
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -2.944
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -3.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -92.649112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.649112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.649112 (E_RNA)
where:
Base-Base interactions energy: -29.878
where: short stacking energy: -27.153
Base-Backbone interact. energy: -0.203
local terms energy: -62.567977
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -7.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -86.947820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.947820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.947820 (E_RNA)
where:
Base-Base interactions energy: -36.988
where: short stacking energy: -31.886
Base-Backbone interact. energy: 3.106
local terms energy: -53.065342
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -2.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -91.059675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.059675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.059675 (E_RNA)
where:
Base-Base interactions energy: -31.995
where: short stacking energy: -31.798
Base-Backbone interact. energy: -0.180
local terms energy: -58.885391
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -7.859
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -9.201
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: 10
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -83.222795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.222795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.222795 (E_RNA)
where:
Base-Base interactions energy: -40.917
where: short stacking energy: -23.700
Base-Backbone interact. energy: -0.135
local terms energy: -42.171637
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: 3.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -222.903635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.903635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.903635 (E_RNA)
where:
Base-Base interactions energy: -153.172
where: short stacking energy: -72.305
Base-Backbone interact. energy: -0.314
local terms energy: -69.417439
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: -21.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -220.950132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.950132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.950132 (E_RNA)
where:
Base-Base interactions energy: -144.208
where: short stacking energy: -66.820
Base-Backbone interact. energy: -0.100
local terms energy: -76.642019
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -5.699
tors. eta vs tors. theta energy: -22.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -203.510937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.510937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.510937 (E_RNA)
where:
Base-Base interactions energy: -131.446
where: short stacking energy: -60.363
Base-Backbone interact. energy: -0.274
local terms energy: -71.790704
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -16.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -210.509364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.509364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.509364 (E_RNA)
where:
Base-Base interactions energy: -142.701
where: short stacking energy: -66.809
Base-Backbone interact. energy: 0.193
local terms energy: -68.002078
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -18.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -183.280117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.280117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.280117 (E_RNA)
where:
Base-Base interactions energy: -113.682
where: short stacking energy: -46.151
Base-Backbone interact. energy: -1.161
local terms energy: -68.436649
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -12.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -88.952212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.952212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.952212 (E_RNA)
where:
Base-Base interactions energy: -39.078
where: short stacking energy: -37.932
Base-Backbone interact. energy: 0.526
local terms energy: -50.400135
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: -7.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -92.559650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.559650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.559650 (E_RNA)
where:
Base-Base interactions energy: -43.555
where: short stacking energy: -39.384
Base-Backbone interact. energy: 0.455
local terms energy: -49.458848
where:
bonds (distance) C4'-P energy: -9.504
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -9.583
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -6.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -79.548000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.548000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.548000 (E_RNA)
where:
Base-Base interactions energy: -30.102
where: short stacking energy: -30.102
Base-Backbone interact. energy: -0.663
local terms energy: -48.782506
where:
bonds (distance) C4'-P energy: -9.628
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -9.884
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -3.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -88.724216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.724216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.724216 (E_RNA)
where:
Base-Base interactions energy: -37.854
where: short stacking energy: -24.842
Base-Backbone interact. energy: -0.061
local terms energy: -50.809190
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -6.269
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -2.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -78.999684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.999684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.999684 (E_RNA)
where:
Base-Base interactions energy: -34.044
where: short stacking energy: -18.368
Base-Backbone interact. energy: -0.232
local terms energy: -44.724477
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -9.435
flat angles P-C4'-P energy: -10.334
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -220.185876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.185876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.185876 (E_RNA)
where:
Base-Base interactions energy: -149.030
where: short stacking energy: -59.057
Base-Backbone interact. energy: -0.781
local terms energy: -70.374622
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -17.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -221.159869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.159869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.159869 (E_RNA)
where:
Base-Base interactions energy: -146.771
where: short stacking energy: -59.422
Base-Backbone interact. energy: -0.042
local terms energy: -74.346702
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -16.267
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -19.331
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: 7
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -213.607082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.607082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.607082 (E_RNA)
where:
Base-Base interactions energy: -138.238
where: short stacking energy: -61.645
Base-Backbone interact. energy: -0.079
local terms energy: -75.289341
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -19.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -191.158187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.158187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.158187 (E_RNA)
where:
Base-Base interactions energy: -125.709
where: short stacking energy: -56.879
Base-Backbone interact. energy: -0.015
local terms energy: -65.434233
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -11.437
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -17.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -185.829713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.829713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.829713 (E_RNA)
where:
Base-Base interactions energy: -120.540
where: short stacking energy: -57.957
Base-Backbone interact. energy: -0.050
local terms energy: -65.239674
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -11.480
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: 8
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -106.089861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.089861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.089861 (E_RNA)
where:
Base-Base interactions energy: -53.313
where: short stacking energy: -39.695
Base-Backbone interact. energy: -0.085
local terms energy: -52.691443
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -3.217
tors. eta vs tors. theta energy: -9.426
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: 7, replica: 1
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -89.641994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.641994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.641994 (E_RNA)
where:
Base-Base interactions energy: -35.007
where: short stacking energy: -26.446
Base-Backbone interact. energy: -0.262
local terms energy: -54.373375
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -10.185
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: 8, replica: 9
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -88.040861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.040861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.040861 (E_RNA)
where:
Base-Base interactions energy: -35.377
where: short stacking energy: -25.827
Base-Backbone interact. energy: -0.053
local terms energy: -52.611401
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -7.113
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -83.254693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.254693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.254693 (E_RNA)
where:
Base-Base interactions energy: -27.081
where: short stacking energy: -27.081
Base-Backbone interact. energy: -0.012
local terms energy: -56.161554
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -18.621
flat angles P-C4'-P energy: -6.805
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: 10, replica: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -78.795018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.795018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.795018 (E_RNA)
where:
Base-Base interactions energy: -26.526
where: short stacking energy: -26.526
Base-Backbone interact. energy: -0.039
local terms energy: -52.229817
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -9.898
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -4.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -226.776588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.776588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.776588 (E_RNA)
where:
Base-Base interactions energy: -149.485
where: short stacking energy: -65.686
Base-Backbone interact. energy: -0.002
local terms energy: -77.290120
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -22.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -223.201453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.201453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.201453 (E_RNA)
where:
Base-Base interactions energy: -142.561
where: short stacking energy: -67.779
Base-Backbone interact. energy: -0.020
local terms energy: -80.620459
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -18.254
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -18.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -216.904133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.904133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.904133 (E_RNA)
where:
Base-Base interactions energy: -145.145
where: short stacking energy: -61.168
Base-Backbone interact. energy: -0.032
local terms energy: -71.727116
where:
bonds (distance) C4'-P energy: -9.148
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -18.788
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: 4
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -211.094605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.094605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.094605 (E_RNA)
where:
Base-Base interactions energy: -141.069
where: short stacking energy: -56.007
Base-Backbone interact. energy: -0.091
local terms energy: -69.934817
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -15.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -194.332044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.332044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.332044 (E_RNA)
where:
Base-Base interactions energy: -127.501
where: short stacking energy: -52.523
Base-Backbone interact. energy: -0.101
local terms energy: -66.729332
where:
bonds (distance) C4'-P energy: -11.608
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -13.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -112.620550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.620550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.620550 (E_RNA)
where:
Base-Base interactions energy: -51.241
where: short stacking energy: -28.896
Base-Backbone interact. energy: -0.197
local terms energy: -61.182960
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -8.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -93.221369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.221369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.221369 (E_RNA)
where:
Base-Base interactions energy: -43.167
where: short stacking energy: -37.987
Base-Backbone interact. energy: -0.102
local terms energy: -49.952597
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -9.377
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -5.139
tors. eta vs tors. theta energy: -5.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -91.019797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.019797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.019797 (E_RNA)
where:
Base-Base interactions energy: -33.892
where: short stacking energy: -27.446
Base-Backbone interact. energy: -0.202
local terms energy: -56.926615
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -4.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -79.403742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.403742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.403742 (E_RNA)
where:
Base-Base interactions energy: -26.940
where: short stacking energy: -26.940
Base-Backbone interact. energy: -0.085
local terms energy: -52.379318
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -4.784
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: 10, replica: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -75.995182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.995182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.995182 (E_RNA)
where:
Base-Base interactions energy: -22.622
where: short stacking energy: -21.400
Base-Backbone interact. energy: -0.040
local terms energy: -53.332957
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -3.609
tors. eta vs tors. theta energy: -1.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -220.214288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.214288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.214288 (E_RNA)
where:
Base-Base interactions energy: -142.394
where: short stacking energy: -70.699
Base-Backbone interact. energy: -0.055
local terms energy: -77.764948
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -19.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -215.895762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.895762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.895762 (E_RNA)
where:
Base-Base interactions energy: -143.803
where: short stacking energy: -63.294
Base-Backbone interact. energy: -0.027
local terms energy: -72.066442
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -18.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -214.401152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.401152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.401152 (E_RNA)
where:
Base-Base interactions energy: -141.548
where: short stacking energy: -61.729
Base-Backbone interact. energy: -0.011
local terms energy: -72.841759
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -18.263
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: 4, replica: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -204.304081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.304081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.304081 (E_RNA)
where:
Base-Base interactions energy: -133.323
where: short stacking energy: -64.861
Base-Backbone interact. energy: -0.045
local terms energy: -70.935819
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -7.543
flat angles C4'-P-C4' energy: -18.134
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -19.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -200.886325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.886325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.886325 (E_RNA)
where:
Base-Base interactions energy: -136.548
where: short stacking energy: -58.145
Base-Backbone interact. energy: -0.069
local terms energy: -64.269232
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -10.317
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -15.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -99.475413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.475413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.475413 (E_RNA)
where:
Base-Base interactions energy: -54.586
where: short stacking energy: -18.306
Base-Backbone interact. energy: -1.152
local terms energy: -43.738042
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -5.031
flat angles P-C4'-P energy: -5.878
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: 7, replica: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -101.867744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.867744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.867744 (E_RNA)
where:
Base-Base interactions energy: -48.784
where: short stacking energy: -28.439
Base-Backbone interact. energy: -0.289
local terms energy: -52.794768
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -4.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -93.609700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.609700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.609700 (E_RNA)
where:
Base-Base interactions energy: -43.569
where: short stacking energy: -26.305
Base-Backbone interact. energy: -0.183
local terms energy: -49.857294
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -0.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -76.676668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.676668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.676668 (E_RNA)
where:
Base-Base interactions energy: -28.579
where: short stacking energy: -26.375
Base-Backbone interact. energy: -0.068
local terms energy: -48.029463
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -10.969
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -5.794
tors. eta vs tors. theta energy: -3.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -85.152459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.152459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.152459 (E_RNA)
where:
Base-Base interactions energy: -42.448
where: short stacking energy: -15.567
Base-Backbone interact. energy: 2.027
local terms energy: -44.731606
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: 5.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -221.385003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.385003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.385003 (E_RNA)
where:
Base-Base interactions energy: -145.897
where: short stacking energy: -68.925
Base-Backbone interact. energy: -0.002
local terms energy: -75.486852
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -17.128
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -17.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -219.355841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.355841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.355841 (E_RNA)
where:
Base-Base interactions energy: -148.929
where: short stacking energy: -71.139
Base-Backbone interact. energy: -0.072
local terms energy: -70.354998
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -18.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -206.108081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.108081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.108081 (E_RNA)
where:
Base-Base interactions energy: -137.818
where: short stacking energy: -51.007
Base-Backbone interact. energy: -0.032
local terms energy: -68.257941
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -18.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -214.162639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.162639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.162639 (E_RNA)
where:
Base-Base interactions energy: -143.166
where: short stacking energy: -66.972
Base-Backbone interact. energy: -0.004
local terms energy: -70.992825
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -17.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -196.997347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.997347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.997347 (E_RNA)
where:
Base-Base interactions energy: -136.752
where: short stacking energy: -53.739
Base-Backbone interact. energy: -0.065
local terms energy: -60.179956
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -15.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -90.400477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.400477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.400477 (E_RNA)
where:
Base-Base interactions energy: -39.921
where: short stacking energy: -26.798
Base-Backbone interact. energy: 1.704
local terms energy: -52.183624
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -8.652
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -3.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -90.531901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.531901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.531901 (E_RNA)
where:
Base-Base interactions energy: -36.139
where: short stacking energy: -32.282
Base-Backbone interact. energy: -0.070
local terms energy: -54.322900
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -3.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -87.897279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.897279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.897279 (E_RNA)
where:
Base-Base interactions energy: -34.754
where: short stacking energy: -22.678
Base-Backbone interact. energy: -0.087
local terms energy: -53.056249
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: 0.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -70.353269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.353269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.353269 (E_RNA)
where:
Base-Base interactions energy: -23.683
where: short stacking energy: -18.471
Base-Backbone interact. energy: -0.353
local terms energy: -46.317182
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -12.664
flat angles C4'-P-C4' energy: -10.861
flat angles P-C4'-P energy: -5.655
tors. eta vs tors. theta energy: -0.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -78.187431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.187431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.187431 (E_RNA)
where:
Base-Base interactions energy: -32.588
where: short stacking energy: -22.440
Base-Backbone interact. energy: -0.556
local terms energy: -45.043055
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: 0.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -219.616454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.616454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.616454 (E_RNA)
where:
Base-Base interactions energy: -142.254
where: short stacking energy: -67.685
Base-Backbone interact. energy: -0.015
local terms energy: -77.347330
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -18.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -231.230454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.230454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.230454 (E_RNA)
where:
Base-Base interactions energy: -157.803
where: short stacking energy: -65.583
Base-Backbone interact. energy: -0.042
local terms energy: -73.384823
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -19.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -219.784422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.784422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.784422 (E_RNA)
where:
Base-Base interactions energy: -148.644
where: short stacking energy: -63.176
Base-Backbone interact. energy: -0.095
local terms energy: -71.046304
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -17.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -209.296522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.296522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.296522 (E_RNA)
where:
Base-Base interactions energy: -133.678
where: short stacking energy: -54.278
Base-Backbone interact. energy: -0.085
local terms energy: -75.533430
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -19.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -183.708437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.708437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.708437 (E_RNA)
where:
Base-Base interactions energy: -112.850
where: short stacking energy: -61.994
Base-Backbone interact. energy: -0.639
local terms energy: -70.218624
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -14.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -96.450731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.450731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.450731 (E_RNA)
where:
Base-Base interactions energy: -45.103
where: short stacking energy: -32.903
Base-Backbone interact. energy: -0.219
local terms energy: -51.129629
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -8.551
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -4.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -103.557900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.557900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.557900 (E_RNA)
where:
Base-Base interactions energy: -40.930
where: short stacking energy: -37.465
Base-Backbone interact. energy: -0.150
local terms energy: -62.477170
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -12.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -90.310040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.310040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.310040 (E_RNA)
where:
Base-Base interactions energy: -36.826
where: short stacking energy: -28.082
Base-Backbone interact. energy: -0.078
local terms energy: -53.406319
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -1.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -86.572361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.572361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.572361 (E_RNA)
where:
Base-Base interactions energy: -40.480
where: short stacking energy: -24.772
Base-Backbone interact. energy: -0.574
local terms energy: -45.518105
where:
bonds (distance) C4'-P energy: -9.757
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -3.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -69.718515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.718515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.718515 (E_RNA)
where:
Base-Base interactions energy: -27.711
where: short stacking energy: -27.711
Base-Backbone interact. energy: -0.110
local terms energy: -41.898456
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -7.095
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: 1, replica: 7
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -221.333544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.333544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.333544 (E_RNA)
where:
Base-Base interactions energy: -146.275
where: short stacking energy: -66.371
Base-Backbone interact. energy: -0.013
local terms energy: -75.044859
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -18.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -221.691299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.691299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.691299 (E_RNA)
where:
Base-Base interactions energy: -148.643
where: short stacking energy: -75.541
Base-Backbone interact. energy: -0.001
local terms energy: -73.047921
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -16.875
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: 3
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -194.964151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.964151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.964151 (E_RNA)
where:
Base-Base interactions energy: -119.018
where: short stacking energy: -59.798
Base-Backbone interact. energy: -0.098
local terms energy: -75.847903
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -17.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -190.495012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.495012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.495012 (E_RNA)
where:
Base-Base interactions energy: -120.154
where: short stacking energy: -55.923
Base-Backbone interact. energy: -0.614
local terms energy: -69.726572
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -14.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -203.821619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.821619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.821619 (E_RNA)
where:
Base-Base interactions energy: -129.733
where: short stacking energy: -66.843
Base-Backbone interact. energy: -0.002
local terms energy: -74.086408
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -19.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -89.534790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.534790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.534790 (E_RNA)
where:
Base-Base interactions energy: -40.787
where: short stacking energy: -28.143
Base-Backbone interact. energy: -0.180
local terms energy: -48.567337
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -11.429
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -2.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -91.044700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.044700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.044700 (E_RNA)
where:
Base-Base interactions energy: -41.476
where: short stacking energy: -21.850
Base-Backbone interact. energy: -0.059
local terms energy: -49.509968
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -5.565
tors. eta vs tors. theta energy: -0.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -77.953414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.953414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.953414 (E_RNA)
where:
Base-Base interactions energy: -34.345
where: short stacking energy: -26.792
Base-Backbone interact. energy: -0.222
local terms energy: -43.386041
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -8.893
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -7.895
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: 9, replica: 8
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -110.977549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.977549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.977549 (E_RNA)
where:
Base-Base interactions energy: -63.494
where: short stacking energy: -30.770
Base-Backbone interact. energy: -0.197
local terms energy: -47.287070
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: 4.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -77.687350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.687350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.687350 (E_RNA)
where:
Base-Base interactions energy: -16.788
where: short stacking energy: -16.659
Base-Backbone interact. energy: -0.165
local terms energy: -60.734939
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -235.011661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.011661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.011661 (E_RNA)
where:
Base-Base interactions energy: -155.482
where: short stacking energy: -68.737
Base-Backbone interact. energy: -0.020
local terms energy: -79.510054
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -17.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -221.002417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.002417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.002417 (E_RNA)
where:
Base-Base interactions energy: -146.152
where: short stacking energy: -66.792
Base-Backbone interact. energy: -0.001
local terms energy: -74.849948
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -20.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -212.499541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.499541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.499541 (E_RNA)
where:
Base-Base interactions energy: -142.957
where: short stacking energy: -62.346
Base-Backbone interact. energy: -0.208
local terms energy: -69.334779
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -18.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -198.687088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.687088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.687088 (E_RNA)
where:
Base-Base interactions energy: -131.454
where: short stacking energy: -58.147
Base-Backbone interact. energy: -0.679
local terms energy: -66.554101
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -18.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -200.657061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.657061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.657061 (E_RNA)
where:
Base-Base interactions energy: -127.138
where: short stacking energy: -59.957
Base-Backbone interact. energy: -0.478
local terms energy: -73.040694
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -20.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -86.434382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.434382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.434382 (E_RNA)
where:
Base-Base interactions energy: -31.519
where: short stacking energy: -28.186
Base-Backbone interact. energy: 0.007
local terms energy: -54.922688
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -9.798
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: 7, replica: 9
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -113.195645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.195645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.195645 (E_RNA)
where:
Base-Base interactions energy: -53.323
where: short stacking energy: -41.093
Base-Backbone interact. energy: -0.075
local terms energy: -59.798080
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -5.939
tors. eta vs tors. theta energy: -8.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -97.582794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.582794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.582794 (E_RNA)
where:
Base-Base interactions energy: -38.902
where: short stacking energy: -38.902
Base-Backbone interact. energy: 1.361
local terms energy: -60.042478
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -7.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -76.755067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.755067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.755067 (E_RNA)
where:
Base-Base interactions energy: -28.452
where: short stacking energy: -28.452
Base-Backbone interact. energy: -0.015
local terms energy: -48.288415
where:
bonds (distance) C4'-P energy: -9.536
bonds (distance) P-C4' energy: -11.329
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -1.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -90.312919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.312919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.312919 (E_RNA)
where:
Base-Base interactions energy: -37.785
where: short stacking energy: -24.151
Base-Backbone interact. energy: -1.485
local terms energy: -51.042846
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: 1.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -225.500805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.500805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.500805 (E_RNA)
where:
Base-Base interactions energy: -157.393
where: short stacking energy: -69.382
Base-Backbone interact. energy: -0.190
local terms energy: -67.918072
where:
bonds (distance) C4'-P energy: -9.777
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -16.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -221.389280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.389280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.389280 (E_RNA)
where:
Base-Base interactions energy: -144.614
where: short stacking energy: -64.769
Base-Backbone interact. energy: -0.001
local terms energy: -76.774052
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -18.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -220.289094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.289094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.289094 (E_RNA)
where:
Base-Base interactions energy: -139.692
where: short stacking energy: -62.842
Base-Backbone interact. energy: -0.042
local terms energy: -80.555760
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -17.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -206.776915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.776915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.776915 (E_RNA)
where:
Base-Base interactions energy: -134.137
where: short stacking energy: -60.793
Base-Backbone interact. energy: -0.012
local terms energy: -72.627779
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -12.449
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -20.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -181.637794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.637794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.637794 (E_RNA)
where:
Base-Base interactions energy: -114.151
where: short stacking energy: -52.190
Base-Backbone interact. energy: -0.167
local terms energy: -67.319397
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -14.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -100.894494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.894494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.894494 (E_RNA)
where:
Base-Base interactions energy: -54.455
where: short stacking energy: -31.240
Base-Backbone interact. energy: -0.173
local terms energy: -46.267282
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -9.393
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: 0.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -84.301151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.301151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.301151 (E_RNA)
where:
Base-Base interactions energy: -37.719
where: short stacking energy: -36.098
Base-Backbone interact. energy: -0.232
local terms energy: -46.349773
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -12.016
flat angles P-C4'-P energy: -2.920
tors. eta vs tors. theta energy: -5.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -73.665590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.665590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.665590 (E_RNA)
where:
Base-Base interactions energy: -29.564
where: short stacking energy: -19.503
Base-Backbone interact. energy: -0.099
local terms energy: -44.002072
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -9.495
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: 1.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -80.902587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.902587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.902587 (E_RNA)
where:
Base-Base interactions energy: -36.629
where: short stacking energy: -35.266
Base-Backbone interact. energy: -0.075
local terms energy: -44.198325
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -8.353
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -2.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -76.474329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.474329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.474329 (E_RNA)
where:
Base-Base interactions energy: -26.388
where: short stacking energy: -26.388
Base-Backbone interact. energy: -1.006
local terms energy: -49.080302
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -9.832
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -1.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -220.197079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.197079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.197079 (E_RNA)
where:
Base-Base interactions energy: -149.887
where: short stacking energy: -72.904
Base-Backbone interact. energy: -0.005
local terms energy: -70.304988
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -19.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -220.498907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.498907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.498907 (E_RNA)
where:
Base-Base interactions energy: -142.191
where: short stacking energy: -66.304
Base-Backbone interact. energy: -0.051
local terms energy: -78.257054
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -17.777
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -18.291
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: 2
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -214.782208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.782208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.782208 (E_RNA)
where:
Base-Base interactions energy: -144.487
where: short stacking energy: -57.982
Base-Backbone interact. energy: -0.072
local terms energy: -70.223397
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -18.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -183.418588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.418588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.418588 (E_RNA)
where:
Base-Base interactions energy: -124.345
where: short stacking energy: -59.933
Base-Backbone interact. energy: -0.023
local terms energy: -59.050179
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -10.923
flat angles C4'-P-C4' energy: -9.075
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -11.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -177.109781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.109781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.109781 (E_RNA)
where:
Base-Base interactions energy: -120.310
where: short stacking energy: -55.319
Base-Backbone interact. energy: -0.014
local terms energy: -56.785300
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -12.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -95.247547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.247547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.247547 (E_RNA)
where:
Base-Base interactions energy: -43.717
where: short stacking energy: -37.562
Base-Backbone interact. energy: -0.282
local terms energy: -51.248182
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -6.646
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -4.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -103.194062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.194062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.194062 (E_RNA)
where:
Base-Base interactions energy: -44.802
where: short stacking energy: -40.913
Base-Backbone interact. energy: -0.856
local terms energy: -57.536533
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -10.361
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -7.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -84.324537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.324537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.324537 (E_RNA)
where:
Base-Base interactions energy: -33.846
where: short stacking energy: -30.413
Base-Backbone interact. energy: -0.038
local terms energy: -50.440073
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -1.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -105.175884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.175884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.175884 (E_RNA)
where:
Base-Base interactions energy: -50.308
where: short stacking energy: -28.849
Base-Backbone interact. energy: -0.042
local terms energy: -54.825549
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -5.497
tors. eta vs tors. theta energy: -4.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -77.655627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.655627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.655627 (E_RNA)
where:
Base-Base interactions energy: -38.581
where: short stacking energy: -28.310
Base-Backbone interact. energy: -0.012
local terms energy: -39.062435
where:
bonds (distance) C4'-P energy: -9.043
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -9.112
flat angles P-C4'-P energy: -4.540
tors. eta vs tors. theta energy: -2.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -216.866238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.866238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.866238 (E_RNA)
where:
Base-Base interactions energy: -143.168
where: short stacking energy: -65.919
Base-Backbone interact. energy: -0.040
local terms energy: -73.658673
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -18.468
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -18.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -215.054220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.054220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.054220 (E_RNA)
where:
Base-Base interactions energy: -138.040
where: short stacking energy: -68.147
Base-Backbone interact. energy: -0.476
local terms energy: -76.537955
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -22.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -216.763546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.763546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.763546 (E_RNA)
where:
Base-Base interactions energy: -135.028
where: short stacking energy: -68.733
Base-Backbone interact. energy: -0.007
local terms energy: -81.727764
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -22.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -208.011894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.011894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.011894 (E_RNA)
where:
Base-Base interactions energy: -140.851
where: short stacking energy: -58.121
Base-Backbone interact. energy: 0.510
local terms energy: -67.671283
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -15.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -205.538792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.538792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.538792 (E_RNA)
where:
Base-Base interactions energy: -132.307
where: short stacking energy: -58.799
Base-Backbone interact. energy: -0.014
local terms energy: -73.217650
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -18.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -131.975520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.975520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.975520 (E_RNA)
where:
Base-Base interactions energy: -72.567
where: short stacking energy: -28.378
Base-Backbone interact. energy: -0.236
local terms energy: -59.172493
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -5.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -95.883744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.883744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.883744 (E_RNA)
where:
Base-Base interactions energy: -47.909
where: short stacking energy: -25.141
Base-Backbone interact. energy: -0.401
local terms energy: -47.574120
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -6.258
tors. eta vs tors. theta energy: -2.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -84.031144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.031144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.031144 (E_RNA)
where:
Base-Base interactions energy: -33.624
where: short stacking energy: -33.624
Base-Backbone interact. energy: -0.177
local terms energy: -50.229827
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -17.901
flat angles C4'-P-C4' energy: -9.527
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -3.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -75.651762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.651762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.651762 (E_RNA)
where:
Base-Base interactions energy: -30.436
where: short stacking energy: -22.694
Base-Backbone interact. energy: -0.834
local terms energy: -44.381500
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: 2.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -81.064097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.064097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.064097 (E_RNA)
where:
Base-Base interactions energy: -31.749
where: short stacking energy: -20.098
Base-Backbone interact. energy: -1.556
local terms energy: -47.759730
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -8.602
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -0.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -225.298808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.298808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.298808 (E_RNA)
where:
Base-Base interactions energy: -149.448
where: short stacking energy: -67.823
Base-Backbone interact. energy: -0.094
local terms energy: -75.757389
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -21.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -215.453165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.453165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.453165 (E_RNA)
where:
Base-Base interactions energy: -139.659
where: short stacking energy: -57.943
Base-Backbone interact. energy: 0.555
local terms energy: -76.349942
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -19.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -204.549517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.549517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.549517 (E_RNA)
where:
Base-Base interactions energy: -142.441
where: short stacking energy: -59.596
Base-Backbone interact. energy: -0.310
local terms energy: -61.798972
where:
bonds (distance) C4'-P energy: -8.865
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -15.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -215.287859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.287859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.287859 (E_RNA)
where:
Base-Base interactions energy: -141.152
where: short stacking energy: -58.863
Base-Backbone interact. energy: 1.117
local terms energy: -75.252598
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -22.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -206.167899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.167899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.167899 (E_RNA)
where:
Base-Base interactions energy: -129.559
where: short stacking energy: -58.809
Base-Backbone interact. energy: -0.036
local terms energy: -76.572980
where:
bonds (distance) C4'-P energy: -14.705
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -18.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -120.168410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.168410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.168410 (E_RNA)
where:
Base-Base interactions energy: -62.369
where: short stacking energy: -38.774
Base-Backbone interact. energy: -0.054
local terms energy: -57.745727
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -7.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -83.144831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.144831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.144831 (E_RNA)
where:
Base-Base interactions energy: -36.176
where: short stacking energy: -29.765
Base-Backbone interact. energy: -0.063
local terms energy: -46.905466
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -8.831
flat angles C4'-P-C4' energy: -10.033
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -4.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -77.832326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.832326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.832326 (E_RNA)
where:
Base-Base interactions energy: -22.811
where: short stacking energy: -22.803
Base-Backbone interact. energy: -0.101
local terms energy: -54.921128
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -16.552
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: 0.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -86.461177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.461177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.461177 (E_RNA)
where:
Base-Base interactions energy: -40.147
where: short stacking energy: -36.217
Base-Backbone interact. energy: -0.017
local terms energy: -46.297284
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -4.300
flat angles C4'-P-C4' energy: -9.346
flat angles P-C4'-P energy: -10.554
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: 1
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -75.921538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.921538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.921538 (E_RNA)
where:
Base-Base interactions energy: -25.550
where: short stacking energy: -25.550
Base-Backbone interact. energy: -0.178
local terms energy: -50.193674
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -8.283
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -7.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -224.981518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.981518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.981518 (E_RNA)
where:
Base-Base interactions energy: -148.511
where: short stacking energy: -69.206
Base-Backbone interact. energy: 1.205
local terms energy: -77.675395
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -18.112
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -18.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -210.758027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.758027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.758027 (E_RNA)
where:
Base-Base interactions energy: -139.032
where: short stacking energy: -64.299
Base-Backbone interact. energy: -0.305
local terms energy: -71.421723
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -17.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -202.580576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.580576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.580576 (E_RNA)
where:
Base-Base interactions energy: -127.231
where: short stacking energy: -60.254
Base-Backbone interact. energy: -0.014
local terms energy: -75.335417
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -17.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -215.553707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.553707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.553707 (E_RNA)
where:
Base-Base interactions energy: -138.598
where: short stacking energy: -71.364
Base-Backbone interact. energy: -0.096
local terms energy: -76.859816
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -21.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -196.370408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.370408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.370408 (E_RNA)
where:
Base-Base interactions energy: -131.635
where: short stacking energy: -54.082
Base-Backbone interact. energy: -0.040
local terms energy: -64.695521
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -11.763
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -17.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -123.079931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.079931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.079931 (E_RNA)
where:
Base-Base interactions energy: -70.587
where: short stacking energy: -40.804
Base-Backbone interact. energy: -1.252
local terms energy: -51.241347
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -11.978
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -5.573
tors. eta vs tors. theta energy: -7.059
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: 9
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -98.476691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.476691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.476691 (E_RNA)
where:
Base-Base interactions energy: -34.844
where: short stacking energy: -33.369
Base-Backbone interact. energy: -0.075
local terms energy: -63.557700
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -8.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -83.910526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.910526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.910526 (E_RNA)
where:
Base-Base interactions energy: -25.563
where: short stacking energy: -19.976
Base-Backbone interact. energy: -0.203
local terms energy: -58.144184
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -1.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -80.017297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.017297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.017297 (E_RNA)
where:
Base-Base interactions energy: -31.208
where: short stacking energy: -27.929
Base-Backbone interact. energy: -0.206
local terms energy: -48.603685
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -1.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -72.569928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.569928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.569928 (E_RNA)
where:
Base-Base interactions energy: -26.264
where: short stacking energy: -22.813
Base-Backbone interact. energy: -0.463
local terms energy: -45.843489
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -3.758
tors. eta vs tors. theta energy: -2.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -226.872330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.872330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.872330 (E_RNA)
where:
Base-Base interactions energy: -150.577
where: short stacking energy: -71.770
Base-Backbone interact. energy: 0.734
local terms energy: -77.028855
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -18.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -210.741373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.741373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.741373 (E_RNA)
where:
Base-Base interactions energy: -140.553
where: short stacking energy: -59.825
Base-Backbone interact. energy: -0.831
local terms energy: -69.356805
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -13.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -217.922328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.922328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.922328 (E_RNA)
where:
Base-Base interactions energy: -149.931
where: short stacking energy: -73.923
Base-Backbone interact. energy: -0.416
local terms energy: -67.575956
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -22.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -194.720860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.720860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.720860 (E_RNA)
where:
Base-Base interactions energy: -123.112
where: short stacking energy: -49.092
Base-Backbone interact. energy: -0.863
local terms energy: -70.745682
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -15.178
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: 298
Temperature: 1.100000
Total energy: -200.373786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.373786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.373786 (E_RNA)
where:
Base-Base interactions energy: -136.364
where: short stacking energy: -67.112
Base-Backbone interact. energy: -0.057
local terms energy: -63.953056
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -17.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -90.199114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.199114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.199114 (E_RNA)
where:
Base-Base interactions energy: -37.496
where: short stacking energy: -31.491
Base-Backbone interact. energy: -0.134
local terms energy: -52.568751
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -10.553
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -94.945724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.945724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.945724 (E_RNA)
where:
Base-Base interactions energy: -43.846
where: short stacking energy: -35.831
Base-Backbone interact. energy: -1.029
local terms energy: -50.070586
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -11.325
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -3.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -81.246901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.246901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.246901 (E_RNA)
where:
Base-Base interactions energy: -25.224
where: short stacking energy: -25.224
Base-Backbone interact. energy: -0.215
local terms energy: -55.807224
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -2.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -83.468784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.468784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.468784 (E_RNA)
where:
Base-Base interactions energy: -35.848
where: short stacking energy: -29.651
Base-Backbone interact. energy: -0.001
local terms energy: -47.619382
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -6.211
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -3.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -81.590437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.590437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.590437 (E_RNA)
where:
Base-Base interactions energy: -34.156
where: short stacking energy: -31.853
Base-Backbone interact. energy: 0.538
local terms energy: -47.972340
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -7.855
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -7.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -225.678343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.678343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.678343 (E_RNA)
where:
Base-Base interactions energy: -154.286
where: short stacking energy: -66.948
Base-Backbone interact. energy: -0.096
local terms energy: -71.296175
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -6.602
tors. eta vs tors. theta energy: -20.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -222.034532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.034532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.034532 (E_RNA)
where:
Base-Base interactions energy: -145.850
where: short stacking energy: -65.265
Base-Backbone interact. energy: -0.054
local terms energy: -76.130166
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -20.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -201.150068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.150068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.150068 (E_RNA)
where:
Base-Base interactions energy: -130.640
where: short stacking energy: -61.135
Base-Backbone interact. energy: -0.628
local terms energy: -69.882969
where:
bonds (distance) C4'-P energy: -9.384
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -14.297
tors. eta vs tors. theta energy: -14.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -212.005973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.005973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.005973 (E_RNA)
where:
Base-Base interactions energy: -129.906
where: short stacking energy: -61.320
Base-Backbone interact. energy: -0.750
local terms energy: -81.350821
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -21.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -181.716853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.716853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.716853 (E_RNA)
where:
Base-Base interactions energy: -121.437
where: short stacking energy: -53.748
Base-Backbone interact. energy: -0.497
local terms energy: -59.782565
where:
bonds (distance) C4'-P energy: -10.567
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -3.941
tors. eta vs tors. theta energy: -15.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -108.597903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.597903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.597903 (E_RNA)
where:
Base-Base interactions energy: -51.240
where: short stacking energy: -34.921
Base-Backbone interact. energy: -0.177
local terms energy: -57.180414
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -7.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -97.601479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.601479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.601479 (E_RNA)
where:
Base-Base interactions energy: -50.688
where: short stacking energy: -27.440
Base-Backbone interact. energy: -0.132
local terms energy: -46.781360
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -16.916
flat angles C4'-P-C4' energy: -7.630
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -2.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -90.441163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.441163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.441163 (E_RNA)
where:
Base-Base interactions energy: -41.308
where: short stacking energy: -28.261
Base-Backbone interact. energy: -0.373
local terms energy: -48.760555
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -9.904
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -1.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -79.008804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.008804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.008804 (E_RNA)
where:
Base-Base interactions energy: -27.476
where: short stacking energy: -24.188
Base-Backbone interact. energy: -0.080
local terms energy: -51.453311
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -11.794
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -11.266
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: 6
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -82.700544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.700544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.700544 (E_RNA)
where:
Base-Base interactions energy: -32.854
where: short stacking energy: -23.569
Base-Backbone interact. energy: -0.296
local terms energy: -49.550102
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -5.931
tors. eta vs tors. theta energy: -1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -227.340953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.340953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.340953 (E_RNA)
where:
Base-Base interactions energy: -147.787
where: short stacking energy: -67.475
Base-Backbone interact. energy: -0.519
local terms energy: -79.035531
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -21.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -214.538016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.538016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.538016 (E_RNA)
where:
Base-Base interactions energy: -143.110
where: short stacking energy: -62.158
Base-Backbone interact. energy: -0.267
local terms energy: -71.160745
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -18.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -222.676624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.676624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.676624 (E_RNA)
where:
Base-Base interactions energy: -149.031
where: short stacking energy: -63.416
Base-Backbone interact. energy: -0.071
local terms energy: -73.574789
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -13.177
tors. eta vs tors. theta energy: -19.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -201.097830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.097830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.097830 (E_RNA)
where:
Base-Base interactions energy: -130.574
where: short stacking energy: -54.118
Base-Backbone interact. energy: -0.111
local terms energy: -70.412974
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -15.525
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: 5, replica: 4
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -198.302327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.302327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.302327 (E_RNA)
where:
Base-Base interactions energy: -132.136
where: short stacking energy: -62.724
Base-Backbone interact. energy: -0.005
local terms energy: -66.161859
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -17.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -92.378108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.378108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.378108 (E_RNA)
where:
Base-Base interactions energy: -30.067
where: short stacking energy: -25.381
Base-Backbone interact. energy: 0.341
local terms energy: -62.652584
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -2.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -99.999877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.999877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.999877 (E_RNA)
where:
Base-Base interactions energy: -46.587
where: short stacking energy: -22.329
Base-Backbone interact. energy: -0.662
local terms energy: -52.751522
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -2.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -99.001857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.001857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.001857 (E_RNA)
where:
Base-Base interactions energy: -41.884
where: short stacking energy: -28.102
Base-Backbone interact. energy: -0.705
local terms energy: -56.413283
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -3.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -81.836942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.836942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.836942 (E_RNA)
where:
Base-Base interactions energy: -25.978
where: short stacking energy: -26.159
Base-Backbone interact. energy: 0.311
local terms energy: -56.169069
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -5.764
tors. eta vs tors. theta energy: -5.888
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: 10, replica: 8
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -78.021887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.021887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.021887 (E_RNA)
where:
Base-Base interactions energy: -31.457
where: short stacking energy: -31.457
Base-Backbone interact. energy: -0.060
local terms energy: -46.504655
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -3.900
tors. eta vs tors. theta energy: -3.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -221.394059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.394059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.394059 (E_RNA)
where:
Base-Base interactions energy: -145.515
where: short stacking energy: -64.250
Base-Backbone interact. energy: -0.032
local terms energy: -75.847457
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -19.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -204.602533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.602533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.602533 (E_RNA)
where:
Base-Base interactions energy: -132.626
where: short stacking energy: -58.957
Base-Backbone interact. energy: -0.197
local terms energy: -71.780096
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -18.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -215.098239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.098239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.098239 (E_RNA)
where:
Base-Base interactions energy: -145.073
where: short stacking energy: -63.507
Base-Backbone interact. energy: -0.480
local terms energy: -69.545178
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -18.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -206.659850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.659850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.659850 (E_RNA)
where:
Base-Base interactions energy: -133.873
where: short stacking energy: -55.501
Base-Backbone interact. energy: -0.018
local terms energy: -72.768978
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -16.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -197.626406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.626406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.626406 (E_RNA)
where:
Base-Base interactions energy: -120.791
where: short stacking energy: -57.839
Base-Backbone interact. energy: -0.006
local terms energy: -76.829155
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -18.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -105.938398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.938398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.938398 (E_RNA)
where:
Base-Base interactions energy: -58.509
where: short stacking energy: -25.906
Base-Backbone interact. energy: 0.363
local terms energy: -47.792803
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -1.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -87.067724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.067724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.067724 (E_RNA)
where:
Base-Base interactions energy: -30.425
where: short stacking energy: -30.525
Base-Backbone interact. energy: -0.108
local terms energy: -56.535080
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -6.163
tors. eta vs tors. theta energy: -3.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -83.487529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.487529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.487529 (E_RNA)
where:
Base-Base interactions energy: -32.802
where: short stacking energy: -32.802
Base-Backbone interact. energy: -0.177
local terms energy: -50.507885
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -14.820
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -2.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -88.882694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.882694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.882694 (E_RNA)
where:
Base-Base interactions energy: -38.785
where: short stacking energy: -21.164
Base-Backbone interact. energy: -0.220
local terms energy: -49.877597
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -0.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -73.542911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.542911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.542911 (E_RNA)
where:
Base-Base interactions energy: -26.026
where: short stacking energy: -25.411
Base-Backbone interact. energy: 2.716
local terms energy: -50.232268
where:
bonds (distance) C4'-P energy: -8.588
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -3.895
tors. eta vs tors. theta energy: -5.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -222.255608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.255608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.255608 (E_RNA)
where:
Base-Base interactions energy: -149.123
where: short stacking energy: -64.797
Base-Backbone interact. energy: -0.674
local terms energy: -72.458131
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -13.344
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -19.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -220.525481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.525481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.525481 (E_RNA)
where:
Base-Base interactions energy: -147.989
where: short stacking energy: -68.682
Base-Backbone interact. energy: -0.284
local terms energy: -72.252448
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -17.398
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: 3
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -219.303269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.303269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.303269 (E_RNA)
where:
Base-Base interactions energy: -147.273
where: short stacking energy: -63.350
Base-Backbone interact. energy: -0.155
local terms energy: -71.875131
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -18.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -205.138478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.138478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.138478 (E_RNA)
where:
Base-Base interactions energy: -136.593
where: short stacking energy: -67.778
Base-Backbone interact. energy: -0.336
local terms energy: -68.209431
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -5.582
tors. eta vs tors. theta energy: -19.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -181.481369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.481369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.481369 (E_RNA)
where:
Base-Base interactions energy: -114.614
where: short stacking energy: -51.343
Base-Backbone interact. energy: -0.005
local terms energy: -66.862961
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -17.217
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: 1
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -98.439405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.439405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.439405 (E_RNA)
where:
Base-Base interactions energy: -50.939
where: short stacking energy: -30.441
Base-Backbone interact. energy: -0.100
local terms energy: -47.400516
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -4.257
tors. eta vs tors. theta energy: -1.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -93.615894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.615894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.615894 (E_RNA)
where:
Base-Base interactions energy: -35.780
where: short stacking energy: -23.911
Base-Backbone interact. energy: -0.025
local terms energy: -57.811158
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -2.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -92.242979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.242979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.242979 (E_RNA)
where:
Base-Base interactions energy: -38.177
where: short stacking energy: -36.086
Base-Backbone interact. energy: -0.171
local terms energy: -53.894160
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -4.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -81.030213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.030213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.030213 (E_RNA)
where:
Base-Base interactions energy: -27.161
where: short stacking energy: -24.411
Base-Backbone interact. energy: -0.258
local terms energy: -53.611536
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -9.720
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -3.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -71.381492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.381492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.381492 (E_RNA)
where:
Base-Base interactions energy: -22.319
where: short stacking energy: -12.241
Base-Backbone interact. energy: -0.108
local terms energy: -48.955292
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -2.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -226.134742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.134742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.134742 (E_RNA)
where:
Base-Base interactions energy: -146.902
where: short stacking energy: -67.289
Base-Backbone interact. energy: -0.001
local terms energy: -79.231540
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -21.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -216.211168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.211168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.211168 (E_RNA)
where:
Base-Base interactions energy: -142.645
where: short stacking energy: -62.112
Base-Backbone interact. energy: 0.088
local terms energy: -73.654661
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -21.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -217.819710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.819710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.819710 (E_RNA)
where:
Base-Base interactions energy: -141.616
where: short stacking energy: -63.239
Base-Backbone interact. energy: -0.001
local terms energy: -76.201796
where:
bonds (distance) C4'-P energy: -18.358
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -19.579
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: 4, replica: 4
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -181.940603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.940603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.940603 (E_RNA)
where:
Base-Base interactions energy: -112.821
where: short stacking energy: -53.203
Base-Backbone interact. energy: 0.716
local terms energy: -69.835092
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -14.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -184.604192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.604192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.604192 (E_RNA)
where:
Base-Base interactions energy: -116.788
where: short stacking energy: -56.452
Base-Backbone interact. energy: -0.436
local terms energy: -67.379363
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -14.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -93.269447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.269447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.269447 (E_RNA)
where:
Base-Base interactions energy: -36.668
where: short stacking energy: -33.999
Base-Backbone interact. energy: -0.141
local terms energy: -56.460514
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -3.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -94.607850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.607850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.607850 (E_RNA)
where:
Base-Base interactions energy: -38.054
where: short stacking energy: -22.963
Base-Backbone interact. energy: -0.059
local terms energy: -56.495264
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -1.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -86.599377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.599377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.599377 (E_RNA)
where:
Base-Base interactions energy: -34.661
where: short stacking energy: -34.661
Base-Backbone interact. energy: 0.370
local terms energy: -52.308612
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -4.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -88.091427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.091427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.091427 (E_RNA)
where:
Base-Base interactions energy: -39.018
where: short stacking energy: -26.103
Base-Backbone interact. energy: -0.265
local terms energy: -48.808335
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -1.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -71.455268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.455268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.455268 (E_RNA)
where:
Base-Base interactions energy: -18.662
where: short stacking energy: -16.693
Base-Backbone interact. energy: -0.063
local terms energy: -52.730989
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -227.769387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.769387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.769387 (E_RNA)
where:
Base-Base interactions energy: -151.220
where: short stacking energy: -72.973
Base-Backbone interact. energy: -0.001
local terms energy: -76.548023
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -20.695
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: 3
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -230.869085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.869085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.869085 (E_RNA)
where:
Base-Base interactions energy: -154.253
where: short stacking energy: -70.957
Base-Backbone interact. energy: -0.001
local terms energy: -76.615358
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -17.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -205.831353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.831353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.831353 (E_RNA)
where:
Base-Base interactions energy: -143.242
where: short stacking energy: -59.239
Base-Backbone interact. energy: -0.011
local terms energy: -62.578252
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -11.187
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -12.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -209.778101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.778101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.778101 (E_RNA)
where:
Base-Base interactions energy: -135.897
where: short stacking energy: -68.357
Base-Backbone interact. energy: -0.030
local terms energy: -73.850614
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: -18.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -196.562562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.562562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.562562 (E_RNA)
where:
Base-Base interactions energy: -127.345
where: short stacking energy: -59.091
Base-Backbone interact. energy: -0.089
local terms energy: -69.127793
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -18.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -102.703344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.703344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.703344 (E_RNA)
where:
Base-Base interactions energy: -43.265
where: short stacking energy: -41.784
Base-Backbone interact. energy: -0.005
local terms energy: -59.433505
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -10.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -83.631870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.631870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.631870 (E_RNA)
where:
Base-Base interactions energy: -24.998
where: short stacking energy: -24.998
Base-Backbone interact. energy: -0.190
local terms energy: -58.444077
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -2.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -90.948926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.948926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.948926 (E_RNA)
where:
Base-Base interactions energy: -44.984
where: short stacking energy: -40.419
Base-Backbone interact. energy: -0.110
local terms energy: -45.855127
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -9.960
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: -6.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -76.236912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.236912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.236912 (E_RNA)
where:
Base-Base interactions energy: -25.959
where: short stacking energy: -25.959
Base-Backbone interact. energy: -0.013
local terms energy: -50.264544
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: -7.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -70.485944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.485944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.485944 (E_RNA)
where:
Base-Base interactions energy: -25.538
where: short stacking energy: -24.048
Base-Backbone interact. energy: 0.196
local terms energy: -45.143598
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -10.319
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: 1.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -228.868188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.868188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.868188 (E_RNA)
where:
Base-Base interactions energy: -150.016
where: short stacking energy: -64.830
Base-Backbone interact. energy: -0.030
local terms energy: -78.822668
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -18.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -223.775771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.775771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.775771 (E_RNA)
where:
Base-Base interactions energy: -145.820
where: short stacking energy: -73.022
Base-Backbone interact. energy: -0.007
local terms energy: -77.949089
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -19.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -217.866652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.866652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.866652 (E_RNA)
where:
Base-Base interactions energy: -145.934
where: short stacking energy: -56.667
Base-Backbone interact. energy: -0.003
local terms energy: -71.930538
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -17.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -197.108785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.108785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.108785 (E_RNA)
where:
Base-Base interactions energy: -126.754
where: short stacking energy: -66.045
Base-Backbone interact. energy: -0.297
local terms energy: -70.058190
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -18.123
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: 5
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -193.551943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.551943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.551943 (E_RNA)
where:
Base-Base interactions energy: -124.563
where: short stacking energy: -61.775
Base-Backbone interact. energy: -0.000
local terms energy: -68.988929
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -12.773
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -18.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -92.568548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.568548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.568548 (E_RNA)
where:
Base-Base interactions energy: -25.509
where: short stacking energy: -25.482
Base-Backbone interact. energy: -0.094
local terms energy: -66.965601
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -9.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -93.969272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.969272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.969272 (E_RNA)
where:
Base-Base interactions energy: -40.587
where: short stacking energy: -39.677
Base-Backbone interact. energy: -0.039
local terms energy: -53.343610
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -6.844
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -8.328
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: 8, replica: 10
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -76.782194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.782194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.782194 (E_RNA)
where:
Base-Base interactions energy: -29.851
where: short stacking energy: -29.851
Base-Backbone interact. energy: -0.244
local terms energy: -46.686644
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -2.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -77.831277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.831277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.831277 (E_RNA)
where:
Base-Base interactions energy: -26.594
where: short stacking energy: -21.868
Base-Backbone interact. energy: 0.095
local terms energy: -51.332740
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -10.159
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: 10, replica: 8
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -66.419160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.419160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.419160 (E_RNA)
where:
Base-Base interactions energy: -19.824
where: short stacking energy: -19.662
Base-Backbone interact. energy: -0.322
local terms energy: -46.272768
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -11.803
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -0.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -229.600569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.600569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.600569 (E_RNA)
where:
Base-Base interactions energy: -158.058
where: short stacking energy: -70.012
Base-Backbone interact. energy: -0.008
local terms energy: -71.534218
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -18.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -216.612565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.612565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.612565 (E_RNA)
where:
Base-Base interactions energy: -152.178
where: short stacking energy: -64.742
Base-Backbone interact. energy: -0.012
local terms energy: -64.422013
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -14.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -201.473740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.473740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.473740 (E_RNA)
where:
Base-Base interactions energy: -125.557
where: short stacking energy: -57.235
Base-Backbone interact. energy: -0.041
local terms energy: -75.875927
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -15.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -217.284839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.284839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.284839 (E_RNA)
where:
Base-Base interactions energy: -157.292
where: short stacking energy: -64.572
Base-Backbone interact. energy: -0.002
local terms energy: -59.991277
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -9.724
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -14.646
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: 306
Temperature: 1.100000
Total energy: -201.667121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.667121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.667121 (E_RNA)
where:
Base-Base interactions energy: -138.768
where: short stacking energy: -65.224
Base-Backbone interact. energy: -0.093
local terms energy: -62.806094
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -11.738
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -6.597
tors. eta vs tors. theta energy: -17.070
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: 6
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -112.353708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.353708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.353708 (E_RNA)
where:
Base-Base interactions energy: -45.281
where: short stacking energy: -45.281
Base-Backbone interact. energy: -0.044
local terms energy: -67.028684
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.978
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -14.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -144.376000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.376000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.376000 (E_RNA)
where:
Base-Base interactions energy: -81.114
where: short stacking energy: -38.355
Base-Backbone interact. energy: -0.050
local terms energy: -63.212613
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -14.840
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -12.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -90.819426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.819426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.819426 (E_RNA)
where:
Base-Base interactions energy: -37.133
where: short stacking energy: -33.505
Base-Backbone interact. energy: -0.244
local terms energy: -53.442968
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -10.049
flat angles C4'-P-C4' energy: -8.887
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -9.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -77.765082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.765082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.765082 (E_RNA)
where:
Base-Base interactions energy: -32.515
where: short stacking energy: -14.503
Base-Backbone interact. energy: -0.848
local terms energy: -44.401465
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -2.611
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -2.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -81.481471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.481471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.481471 (E_RNA)
where:
Base-Base interactions energy: -26.376
where: short stacking energy: -22.628
Base-Backbone interact. energy: -0.005
local terms energy: -55.100384
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -8.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -227.322641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.322641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.322641 (E_RNA)
where:
Base-Base interactions energy: -151.908
where: short stacking energy: -68.235
Base-Backbone interact. energy: -0.004
local terms energy: -75.410138
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -15.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -200.769787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.769787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.769787 (E_RNA)
where:
Base-Base interactions energy: -137.549
where: short stacking energy: -68.574
Base-Backbone interact. energy: -0.053
local terms energy: -63.168319
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -9.933
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -15.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -219.291371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.291371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.291371 (E_RNA)
where:
Base-Base interactions energy: -145.171
where: short stacking energy: -69.574
Base-Backbone interact. energy: -0.089
local terms energy: -74.031632
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -20.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -218.456906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.456906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.456906 (E_RNA)
where:
Base-Base interactions energy: -146.918
where: short stacking energy: -67.551
Base-Backbone interact. energy: -0.005
local terms energy: -71.534297
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -20.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -184.821308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.821308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.821308 (E_RNA)
where:
Base-Base interactions energy: -121.314
where: short stacking energy: -55.613
Base-Backbone interact. energy: -0.123
local terms energy: -63.383869
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -12.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -175.794105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.794105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.794105 (E_RNA)
where:
Base-Base interactions energy: -109.850
where: short stacking energy: -44.012
Base-Backbone interact. energy: 0.614
local terms energy: -66.558286
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -11.833
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -11.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -87.037650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.037650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.037650 (E_RNA)
where:
Base-Base interactions energy: -30.472
where: short stacking energy: -30.472
Base-Backbone interact. energy: 0.554
local terms energy: -57.119843
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -11.336
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -7.290
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: 8, replica: 9
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -84.400606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.400606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.400606 (E_RNA)
where:
Base-Base interactions energy: -34.486
where: short stacking energy: -28.870
Base-Backbone interact. energy: -0.003
local terms energy: -49.911405
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -4.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -81.738496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.738496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.738496 (E_RNA)
where:
Base-Base interactions energy: -26.655
where: short stacking energy: -26.655
Base-Backbone interact. energy: -0.191
local terms energy: -54.892438
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -4.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -91.204834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.204834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.204834 (E_RNA)
where:
Base-Base interactions energy: -47.260
where: short stacking energy: -26.919
Base-Backbone interact. energy: -0.087
local terms energy: -43.857622
where:
bonds (distance) C4'-P energy: -10.690
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -5.105
tors. eta vs tors. theta energy: -1.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -224.315300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.315300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.315300 (E_RNA)
where:
Base-Base interactions energy: -149.106
where: short stacking energy: -69.155
Base-Backbone interact. energy: -0.002
local terms energy: -75.207132
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -17.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -204.635402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.635402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.635402 (E_RNA)
where:
Base-Base interactions energy: -133.128
where: short stacking energy: -58.731
Base-Backbone interact. energy: -0.120
local terms energy: -71.387222
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -21.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -210.067123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.067123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.067123 (E_RNA)
where:
Base-Base interactions energy: -134.350
where: short stacking energy: -63.192
Base-Backbone interact. energy: -0.058
local terms energy: -75.658660
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -21.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -211.176478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.176478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.176478 (E_RNA)
where:
Base-Base interactions energy: -139.161
where: short stacking energy: -66.251
Base-Backbone interact. energy: -0.124
local terms energy: -71.891566
where:
bonds (distance) C4'-P energy: -12.300
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -10.125
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: 5, replica: 10
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -198.356182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.356182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.356182 (E_RNA)
where:
Base-Base interactions energy: -127.330
where: short stacking energy: -60.390
Base-Backbone interact. energy: -0.108
local terms energy: -70.918121
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -16.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -183.195505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.195505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.195505 (E_RNA)
where:
Base-Base interactions energy: -116.812
where: short stacking energy: -59.074
Base-Backbone interact. energy: -0.010
local terms energy: -66.373401
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: -15.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -91.744268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.744268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.744268 (E_RNA)
where:
Base-Base interactions energy: -41.323
where: short stacking energy: -31.239
Base-Backbone interact. energy: -0.021
local terms energy: -50.400337
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: -5.554
tors. eta vs tors. theta energy: -5.306
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: 9
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -89.930530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.930530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.930530 (E_RNA)
where:
Base-Base interactions energy: -28.693
where: short stacking energy: -28.693
Base-Backbone interact. energy: -0.075
local terms energy: -61.162622
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -3.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -82.244921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.244921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.244921 (E_RNA)
where:
Base-Base interactions energy: -35.675
where: short stacking energy: -35.675
Base-Backbone interact. energy: -0.051
local terms energy: -46.518285
where:
bonds (distance) C4'-P energy: -9.180
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -4.597
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -7.556
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: 10, replica: 8
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -71.145807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.145807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.145807 (E_RNA)
where:
Base-Base interactions energy: -22.580
where: short stacking energy: -19.318
Base-Backbone interact. energy: -0.083
local terms energy: -48.482839
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -10.026
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -2.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -227.961874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.961874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.961874 (E_RNA)
where:
Base-Base interactions energy: -154.337
where: short stacking energy: -74.503
Base-Backbone interact. energy: -0.002
local terms energy: -73.623284
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -15.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -218.175095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.175095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.175095 (E_RNA)
where:
Base-Base interactions energy: -142.234
where: short stacking energy: -71.186
Base-Backbone interact. energy: 0.072
local terms energy: -76.013356
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -20.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -207.534027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.534027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.534027 (E_RNA)
where:
Base-Base interactions energy: -144.857
where: short stacking energy: -61.671
Base-Backbone interact. energy: 1.235
local terms energy: -63.912810
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -15.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -212.507834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.507834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.507834 (E_RNA)
where:
Base-Base interactions energy: -140.944
where: short stacking energy: -65.424
Base-Backbone interact. energy: -0.002
local terms energy: -71.561634
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -20.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -212.247849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.247849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.247849 (E_RNA)
where:
Base-Base interactions energy: -142.215
where: short stacking energy: -61.024
Base-Backbone interact. energy: -0.024
local terms energy: -70.009230
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -21.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -182.815780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.815780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.815780 (E_RNA)
where:
Base-Base interactions energy: -114.658
where: short stacking energy: -53.282
Base-Backbone interact. energy: -0.079
local terms energy: -68.079122
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -10.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -113.914754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.914754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.914754 (E_RNA)
where:
Base-Base interactions energy: -51.030
where: short stacking energy: -39.149
Base-Backbone interact. energy: -0.583
local terms energy: -62.301844
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -7.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -96.884999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.884999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.884999 (E_RNA)
where:
Base-Base interactions energy: -38.613
where: short stacking energy: -26.116
Base-Backbone interact. energy: -0.084
local terms energy: -58.187443
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: -9.192
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: 9, replica: 9
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -84.553187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.553187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.553187 (E_RNA)
where:
Base-Base interactions energy: -31.176
where: short stacking energy: -26.884
Base-Backbone interact. energy: -0.163
local terms energy: -53.214102
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: -6.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -75.101278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.101278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.101278 (E_RNA)
where:
Base-Base interactions energy: -30.616
where: short stacking energy: -22.891
Base-Backbone interact. energy: -0.018
local terms energy: -44.467114
where:
bonds (distance) C4'-P energy: -8.836
bonds (distance) P-C4' energy: -10.207
flat angles C4'-P-C4' energy: -11.097
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -3.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -226.487593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.487593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.487593 (E_RNA)
where:
Base-Base interactions energy: -142.933
where: short stacking energy: -73.216
Base-Backbone interact. energy: -0.027
local terms energy: -83.527205
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -18.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -218.548594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.548594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.548594 (E_RNA)
where:
Base-Base interactions energy: -143.025
where: short stacking energy: -66.394
Base-Backbone interact. energy: -0.293
local terms energy: -75.230176
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -20.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -206.359185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.359185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.359185 (E_RNA)
where:
Base-Base interactions energy: -131.513
where: short stacking energy: -69.807
Base-Backbone interact. energy: -0.628
local terms energy: -74.218498
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -21.552
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: 4, replica: 2
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -207.998203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.998203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.998203 (E_RNA)
where:
Base-Base interactions energy: -136.184
where: short stacking energy: -58.896
Base-Backbone interact. energy: -0.038
local terms energy: -71.776408
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -16.217
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: 4
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -217.249820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.249820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.249820 (E_RNA)
where:
Base-Base interactions energy: -143.221
where: short stacking energy: -63.923
Base-Backbone interact. energy: -0.040
local terms energy: -73.988731
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -8.453
flat angles C4'-P-C4' energy: -18.574
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -21.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -171.166151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.166151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.166151 (E_RNA)
where:
Base-Base interactions energy: -100.471
where: short stacking energy: -49.289
Base-Backbone interact. energy: -0.040
local terms energy: -70.654870
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -15.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -140.197042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.197042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.197042 (E_RNA)
where:
Base-Base interactions energy: -84.608
where: short stacking energy: -43.013
Base-Backbone interact. energy: -0.237
local terms energy: -55.351434
where:
bonds (distance) C4'-P energy: -10.219
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -10.442
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -7.215
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: 6
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -89.960533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.960533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.960533 (E_RNA)
where:
Base-Base interactions energy: -42.410
where: short stacking energy: -25.271
Base-Backbone interact. energy: -0.110
local terms energy: -47.441220
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -10.884
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -3.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -92.902170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.902170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.902170 (E_RNA)
where:
Base-Base interactions energy: -46.016
where: short stacking energy: -32.534
Base-Backbone interact. energy: -0.160
local terms energy: -46.726248
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -10.945
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -4.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -85.325499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.325499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.325499 (E_RNA)
where:
Base-Base interactions energy: -30.117
where: short stacking energy: -30.117
Base-Backbone interact. energy: -0.040
local terms energy: -55.169425
where:
bonds (distance) C4'-P energy: -9.337
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: -7.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -223.473490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.473490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.473490 (E_RNA)
where:
Base-Base interactions energy: -154.539
where: short stacking energy: -62.738
Base-Backbone interact. energy: 0.366
local terms energy: -69.300665
where:
bonds (distance) C4'-P energy: -10.254
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -17.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -216.461696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.461696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.461696 (E_RNA)
where:
Base-Base interactions energy: -142.797
where: short stacking energy: -74.561
Base-Backbone interact. energy: -0.000
local terms energy: -73.664192
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -17.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -208.767377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.767377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.767377 (E_RNA)
where:
Base-Base interactions energy: -129.007
where: short stacking energy: -63.468
Base-Backbone interact. energy: -0.006
local terms energy: -79.754678
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -19.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -201.791275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.791275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.791275 (E_RNA)
where:
Base-Base interactions energy: -131.149
where: short stacking energy: -62.632
Base-Backbone interact. energy: -0.001
local terms energy: -70.640905
where:
bonds (distance) C4'-P energy: -11.134
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -18.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -181.778068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.778068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.778068 (E_RNA)
where:
Base-Base interactions energy: -118.741
where: short stacking energy: -47.486
Base-Backbone interact. energy: -0.022
local terms energy: -63.015299
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -10.385
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -13.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -168.768579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.768579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.768579 (E_RNA)
where:
Base-Base interactions energy: -112.804
where: short stacking energy: -54.474
Base-Backbone interact. energy: -0.320
local terms energy: -55.644680
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -6.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -170.896787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.896787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.896787 (E_RNA)
where:
Base-Base interactions energy: -112.974
where: short stacking energy: -45.900
Base-Backbone interact. energy: -0.082
local terms energy: -57.840026
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -11.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -108.954395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.954395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.954395 (E_RNA)
where:
Base-Base interactions energy: -49.829
where: short stacking energy: -33.785
Base-Backbone interact. energy: -0.009
local terms energy: -59.116331
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -11.367
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -6.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -82.003369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.003369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.003369 (E_RNA)
where:
Base-Base interactions energy: -34.279
where: short stacking energy: -32.920
Base-Backbone interact. energy: -0.249
local terms energy: -47.475725
where:
bonds (distance) C4'-P energy: -9.760
bonds (distance) P-C4' energy: -10.081
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -4.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -78.267584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.267584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.267584 (E_RNA)
where:
Base-Base interactions energy: -22.807
where: short stacking energy: -22.111
Base-Backbone interact. energy: -0.073
local terms energy: -55.386898
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -1.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -222.738401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.738401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.738401 (E_RNA)
where:
Base-Base interactions energy: -140.575
where: short stacking energy: -72.803
Base-Backbone interact. energy: 0.085
local terms energy: -82.248740
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -13.801
tors. eta vs tors. theta energy: -21.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -220.804673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.804673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.804673 (E_RNA)
where:
Base-Base interactions energy: -153.602
where: short stacking energy: -64.242
Base-Backbone interact. energy: -0.092
local terms energy: -67.110931
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -11.276
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -14.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -202.127324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.127324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.127324 (E_RNA)
where:
Base-Base interactions energy: -138.773
where: short stacking energy: -60.873
Base-Backbone interact. energy: -0.163
local terms energy: -63.191368
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -14.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -207.227387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.227387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.227387 (E_RNA)
where:
Base-Base interactions energy: -136.638
where: short stacking energy: -64.427
Base-Backbone interact. energy: -0.158
local terms energy: -70.431904
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -14.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -189.268263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.268263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.268263 (E_RNA)
where:
Base-Base interactions energy: -118.068
where: short stacking energy: -54.321
Base-Backbone interact. energy: -0.022
local terms energy: -71.178642
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -15.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -160.404709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.404709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.404709 (E_RNA)
where:
Base-Base interactions energy: -99.818
where: short stacking energy: -52.489
Base-Backbone interact. energy: -0.967
local terms energy: -59.619038
where:
bonds (distance) C4'-P energy: -6.850
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -4.252
tors. eta vs tors. theta energy: -17.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -162.616416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.616416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.616416 (E_RNA)
where:
Base-Base interactions energy: -101.479
where: short stacking energy: -46.618
Base-Backbone interact. energy: -0.630
local terms energy: -60.507112
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -14.143
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: 8, replica: 8
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -91.064899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.064899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.064899 (E_RNA)
where:
Base-Base interactions energy: -36.931
where: short stacking energy: -27.702
Base-Backbone interact. energy: -1.130
local terms energy: -53.004237
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -10.739
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -5.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -81.558048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.558048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.558048 (E_RNA)
where:
Base-Base interactions energy: -29.073
where: short stacking energy: -29.073
Base-Backbone interact. energy: -0.105
local terms energy: -52.380091
where:
bonds (distance) C4'-P energy: -9.235
bonds (distance) P-C4' energy: -11.171
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -8.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -78.811988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.811988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.811988 (E_RNA)
where:
Base-Base interactions energy: -28.723
where: short stacking energy: -27.206
Base-Backbone interact. energy: -0.282
local terms energy: -49.806964
where:
bonds (distance) C4'-P energy: -9.278
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -4.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -218.474653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.474653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.474653 (E_RNA)
where:
Base-Base interactions energy: -136.677
where: short stacking energy: -72.155
Base-Backbone interact. energy: 0.163
local terms energy: -81.961082
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -20.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -216.299229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.299229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.299229 (E_RNA)
where:
Base-Base interactions energy: -148.473
where: short stacking energy: -65.598
Base-Backbone interact. energy: 0.049
local terms energy: -67.874775
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -17.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -199.600693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.600693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.600693 (E_RNA)
where:
Base-Base interactions energy: -129.935
where: short stacking energy: -60.942
Base-Backbone interact. energy: -0.003
local terms energy: -69.662593
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -10.454
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -17.888
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: 7
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -202.115365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.115365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.115365 (E_RNA)
where:
Base-Base interactions energy: -130.899
where: short stacking energy: -62.632
Base-Backbone interact. energy: -0.033
local terms energy: -71.182865
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -18.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -195.567688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.567688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.567688 (E_RNA)
where:
Base-Base interactions energy: -132.428
where: short stacking energy: -65.873
Base-Backbone interact. energy: -0.001
local terms energy: -63.138305
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -7.300
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -20.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -172.879695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.879695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.879695 (E_RNA)
where:
Base-Base interactions energy: -112.341
where: short stacking energy: -44.956
Base-Backbone interact. energy: -0.706
local terms energy: -59.831861
where:
bonds (distance) C4'-P energy: -18.023
bonds (distance) P-C4' energy: -4.721
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -158.136367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.136367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.136367 (E_RNA)
where:
Base-Base interactions energy: -97.939
where: short stacking energy: -47.380
Base-Backbone interact. energy: -0.052
local terms energy: -60.145625
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -10.272
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -9.205
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: 9
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -96.124018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.124018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.124018 (E_RNA)
where:
Base-Base interactions energy: -36.881
where: short stacking energy: -32.991
Base-Backbone interact. energy: -0.967
local terms energy: -58.276781
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -16.165
flat angles C4'-P-C4' energy: -10.674
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -7.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -85.902935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.902935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.902935 (E_RNA)
where:
Base-Base interactions energy: -41.190
where: short stacking energy: -19.171
Base-Backbone interact. energy: -0.061
local terms energy: -44.651918
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -6.010
tors. eta vs tors. theta energy: -0.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -82.890732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.890732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.890732 (E_RNA)
where:
Base-Base interactions energy: -33.319
where: short stacking energy: -27.069
Base-Backbone interact. energy: 0.158
local terms energy: -49.729091
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -9.004
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: -4.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -223.547214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.547214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.547214 (E_RNA)
where:
Base-Base interactions energy: -146.959
where: short stacking energy: -65.161
Base-Backbone interact. energy: -0.705
local terms energy: -75.883799
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -21.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -218.675912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.675912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.675912 (E_RNA)
where:
Base-Base interactions energy: -143.796
where: short stacking energy: -67.387
Base-Backbone interact. energy: -0.058
local terms energy: -74.822570
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -18.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -205.501969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.501969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.501969 (E_RNA)
where:
Base-Base interactions energy: -137.851
where: short stacking energy: -67.589
Base-Backbone interact. energy: -0.021
local terms energy: -67.630516
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -8.020
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -19.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -202.179892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.179892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.179892 (E_RNA)
where:
Base-Base interactions energy: -134.438
where: short stacking energy: -56.427
Base-Backbone interact. energy: -0.030
local terms energy: -67.711961
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -9.933
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -14.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -201.570585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.570585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.570585 (E_RNA)
where:
Base-Base interactions energy: -137.201
where: short stacking energy: -61.884
Base-Backbone interact. energy: -0.041
local terms energy: -64.328678
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -9.922
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -16.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -194.086497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.086497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.086497 (E_RNA)
where:
Base-Base interactions energy: -118.127
where: short stacking energy: -61.176
Base-Backbone interact. energy: -0.009
local terms energy: -75.951106
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -20.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -153.091443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.091443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.091443 (E_RNA)
where:
Base-Base interactions energy: -85.043
where: short stacking energy: -56.368
Base-Backbone interact. energy: -0.007
local terms energy: -68.041103
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -5.813
tors. eta vs tors. theta energy: -15.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -92.668314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.668314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.668314 (E_RNA)
where:
Base-Base interactions energy: -45.545
where: short stacking energy: -25.424
Base-Backbone interact. energy: -0.083
local terms energy: -47.040331
where:
bonds (distance) C4'-P energy: -8.903
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -2.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -78.060387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.060387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.060387 (E_RNA)
where:
Base-Base interactions energy: -37.414
where: short stacking energy: -22.593
Base-Backbone interact. energy: -0.110
local terms energy: -40.536590
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -10.735
flat angles P-C4'-P energy: -5.788
tors. eta vs tors. theta energy: 0.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -73.005238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.005238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.005238 (E_RNA)
where:
Base-Base interactions energy: -26.626
where: short stacking energy: -19.436
Base-Backbone interact. energy: 0.022
local terms energy: -46.401260
where:
bonds (distance) C4'-P energy: -10.198
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -7.634
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -0.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -223.812313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.812313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.812313 (E_RNA)
where:
Base-Base interactions energy: -142.620
where: short stacking energy: -70.841
Base-Backbone interact. energy: -0.003
local terms energy: -81.188710
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -20.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -216.976813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.976813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.976813 (E_RNA)
where:
Base-Base interactions energy: -142.145
where: short stacking energy: -65.456
Base-Backbone interact. energy: -0.008
local terms energy: -74.823813
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -19.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -219.587084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.587084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.587084 (E_RNA)
where:
Base-Base interactions energy: -139.726
where: short stacking energy: -73.890
Base-Backbone interact. energy: 0.826
local terms energy: -80.686372
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -18.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -190.777276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.777276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.777276 (E_RNA)
where:
Base-Base interactions energy: -118.148
where: short stacking energy: -57.598
Base-Backbone interact. energy: -0.035
local terms energy: -72.594165
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -14.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -193.672638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.672638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.672638 (E_RNA)
where:
Base-Base interactions energy: -122.317
where: short stacking energy: -50.237
Base-Backbone interact. energy: -0.205
local terms energy: -71.150899
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -14.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -192.499925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.499925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.499925 (E_RNA)
where:
Base-Base interactions energy: -123.331
where: short stacking energy: -57.305
Base-Backbone interact. energy: -0.108
local terms energy: -69.060957
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -18.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -131.058900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.058900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.058900 (E_RNA)
where:
Base-Base interactions energy: -81.842
where: short stacking energy: -37.931
Base-Backbone interact. energy: -0.476
local terms energy: -48.741744
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -8.875
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -6.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -92.588232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.588232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.588232 (E_RNA)
where:
Base-Base interactions energy: -29.267
where: short stacking energy: -29.174
Base-Backbone interact. energy: -0.299
local terms energy: -63.022229
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -9.851
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: 9
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -75.176079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.176079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.176079 (E_RNA)
where:
Base-Base interactions energy: -34.588
where: short stacking energy: -15.516
Base-Backbone interact. energy: -0.234
local terms energy: -40.353898
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: 5.663
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: 8
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -70.771961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.771961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.771961 (E_RNA)
where:
Base-Base interactions energy: -22.856
where: short stacking energy: -24.256
Base-Backbone interact. energy: -0.035
local terms energy: -47.880918
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -2.918
tors. eta vs tors. theta energy: -2.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -224.785879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.785879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.785879 (E_RNA)
where:
Base-Base interactions energy: -149.124
where: short stacking energy: -65.613
Base-Backbone interact. energy: -0.301
local terms energy: -75.360926
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -17.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -218.972767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.972767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.972767 (E_RNA)
where:
Base-Base interactions energy: -141.318
where: short stacking energy: -67.376
Base-Backbone interact. energy: -0.000
local terms energy: -77.654599
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -21.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -215.224165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.224165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.224165 (E_RNA)
where:
Base-Base interactions energy: -142.211
where: short stacking energy: -68.312
Base-Backbone interact. energy: -0.076
local terms energy: -72.937008
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -16.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -216.344394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.344394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.344394 (E_RNA)
where:
Base-Base interactions energy: -141.118
where: short stacking energy: -61.802
Base-Backbone interact. energy: -0.546
local terms energy: -74.680558
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -19.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -205.008800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.008800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.008800 (E_RNA)
where:
Base-Base interactions energy: -136.688
where: short stacking energy: -67.941
Base-Backbone interact. energy: -0.057
local terms energy: -68.263326
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -18.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -197.335923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.335923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.335923 (E_RNA)
where:
Base-Base interactions energy: -127.793
where: short stacking energy: -59.176
Base-Backbone interact. energy: -0.001
local terms energy: -69.541969
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -5.875
tors. eta vs tors. theta energy: -21.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -99.119171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.119171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.119171 (E_RNA)
where:
Base-Base interactions energy: -45.888
where: short stacking energy: -36.166
Base-Backbone interact. energy: -0.212
local terms energy: -53.018835
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -7.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -90.573488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.573488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.573488 (E_RNA)
where:
Base-Base interactions energy: -35.490
where: short stacking energy: -35.504
Base-Backbone interact. energy: -0.680
local terms energy: -54.403802
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -12.798
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -5.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -74.484742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.484742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.484742 (E_RNA)
where:
Base-Base interactions energy: -21.568
where: short stacking energy: -21.668
Base-Backbone interact. energy: -0.057
local terms energy: -52.859731
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -9.779
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -2.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -71.284622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.284622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.284622 (E_RNA)
where:
Base-Base interactions energy: -15.257
where: short stacking energy: -14.539
Base-Backbone interact. energy: -0.139
local terms energy: -55.888687
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -9.697
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: 7
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -228.758756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.758756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.758756 (E_RNA)
where:
Base-Base interactions energy: -150.913
where: short stacking energy: -68.114
Base-Backbone interact. energy: 0.262
local terms energy: -78.108418
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -16.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -227.975067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.975067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.975067 (E_RNA)
where:
Base-Base interactions energy: -154.532
where: short stacking energy: -67.740
Base-Backbone interact. energy: -0.173
local terms energy: -73.269831
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -17.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -223.925142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.925142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.925142 (E_RNA)
where:
Base-Base interactions energy: -153.702
where: short stacking energy: -70.398
Base-Backbone interact. energy: -0.006
local terms energy: -70.217645
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -15.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -208.885920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.885920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.885920 (E_RNA)
where:
Base-Base interactions energy: -138.492
where: short stacking energy: -59.416
Base-Backbone interact. energy: -0.156
local terms energy: -70.237738
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -14.185
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: 5, replica: 4
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -200.696738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.696738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.696738 (E_RNA)
where:
Base-Base interactions energy: -124.052
where: short stacking energy: -61.039
Base-Backbone interact. energy: -0.346
local terms energy: -76.298544
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -13.382
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -21.721
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: 2
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -207.541858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.541858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.541858 (E_RNA)
where:
Base-Base interactions energy: -139.787
where: short stacking energy: -62.221
Base-Backbone interact. energy: -0.006
local terms energy: -67.748938
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -17.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -95.511993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.511993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.511993 (E_RNA)
where:
Base-Base interactions energy: -45.322
where: short stacking energy: -38.236
Base-Backbone interact. energy: -1.116
local terms energy: -49.073961
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -9.318
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -3.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -82.943765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.943765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.943765 (E_RNA)
where:
Base-Base interactions energy: -29.514
where: short stacking energy: -26.773
Base-Backbone interact. energy: -1.987
local terms energy: -51.442917
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -0.794
tors. eta vs tors. theta energy: -3.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -80.491163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.491163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.491163 (E_RNA)
where:
Base-Base interactions energy: -35.299
where: short stacking energy: -34.997
Base-Backbone interact. energy: 0.819
local terms energy: -46.010635
where:
bonds (distance) C4'-P energy: -7.985
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -9.447
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -4.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -75.622549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.622549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.622549 (E_RNA)
where:
Base-Base interactions energy: -29.845
where: short stacking energy: -15.857
Base-Backbone interact. energy: 1.886
local terms energy: -47.663484
where:
bonds (distance) C4'-P energy: -8.303
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -1.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -225.743606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.743606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.743606 (E_RNA)
where:
Base-Base interactions energy: -145.268
where: short stacking energy: -67.843
Base-Backbone interact. energy: -0.230
local terms energy: -80.244980
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -19.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -220.528351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.528351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.528351 (E_RNA)
where:
Base-Base interactions energy: -145.728
where: short stacking energy: -66.985
Base-Backbone interact. energy: -0.026
local terms energy: -74.774293
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -19.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -209.993774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.993774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.993774 (E_RNA)
where:
Base-Base interactions energy: -131.131
where: short stacking energy: -62.592
Base-Backbone interact. energy: -0.050
local terms energy: -78.812906
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -20.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -216.069378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.069378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.069378 (E_RNA)
where:
Base-Base interactions energy: -140.325
where: short stacking energy: -74.328
Base-Backbone interact. energy: -0.023
local terms energy: -75.721668
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -18.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -205.831646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.831646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.831646 (E_RNA)
where:
Base-Base interactions energy: -134.453
where: short stacking energy: -53.610
Base-Backbone interact. energy: -0.313
local terms energy: -71.065760
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -17.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -174.807733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.807733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.807733 (E_RNA)
where:
Base-Base interactions energy: -112.891
where: short stacking energy: -49.436
Base-Backbone interact. energy: 0.035
local terms energy: -61.950801
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -7.514
tors. eta vs tors. theta energy: -13.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -98.391528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.391528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.391528 (E_RNA)
where:
Base-Base interactions energy: -40.539
where: short stacking energy: -34.337
Base-Backbone interact. energy: -0.124
local terms energy: -57.728343
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -7.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -80.237409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.237409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.237409 (E_RNA)
where:
Base-Base interactions energy: -25.071
where: short stacking energy: -23.903
Base-Backbone interact. energy: -0.114
local terms energy: -55.052651
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -0.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -87.449327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.449327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.449327 (E_RNA)
where:
Base-Base interactions energy: -42.265
where: short stacking energy: -29.393
Base-Backbone interact. energy: -0.496
local terms energy: -44.688047
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -3.768
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -1.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -79.517925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.517925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.517925 (E_RNA)
where:
Base-Base interactions energy: -35.176
where: short stacking energy: -34.827
Base-Backbone interact. energy: -0.192
local terms energy: -44.149141
where:
bonds (distance) C4'-P energy: -7.133
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -2.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -222.200208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.200208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.200208 (E_RNA)
where:
Base-Base interactions energy: -149.973
where: short stacking energy: -68.834
Base-Backbone interact. energy: -0.197
local terms energy: -72.030653
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -14.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -210.950493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.950493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.950493 (E_RNA)
where:
Base-Base interactions energy: -130.548
where: short stacking energy: -69.964
Base-Backbone interact. energy: -0.465
local terms energy: -79.937787
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -18.279
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -22.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -208.521082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.521082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.521082 (E_RNA)
where:
Base-Base interactions energy: -140.050
where: short stacking energy: -61.519
Base-Backbone interact. energy: -0.328
local terms energy: -68.143036
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -10.994
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -6.617
tors. eta vs tors. theta energy: -20.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -209.222911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.222911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.222911 (E_RNA)
where:
Base-Base interactions energy: -137.619
where: short stacking energy: -54.773
Base-Backbone interact. energy: -0.231
local terms energy: -71.372164
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: -17.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -182.577301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.577301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.577301 (E_RNA)
where:
Base-Base interactions energy: -121.527
where: short stacking energy: -56.108
Base-Backbone interact. energy: -0.068
local terms energy: -60.982845
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -15.099
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: 8
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -93.638226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.638226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.638226 (E_RNA)
where:
Base-Base interactions energy: -43.190
where: short stacking energy: -25.763
Base-Backbone interact. energy: -0.037
local terms energy: -50.411382
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -5.104
tors. eta vs tors. theta energy: -2.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -147.101788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.101788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.101788 (E_RNA)
where:
Base-Base interactions energy: -91.239
where: short stacking energy: -41.633
Base-Backbone interact. energy: -0.389
local terms energy: -55.473020
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -9.455
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: 1
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -77.404187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.404187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.404187 (E_RNA)
where:
Base-Base interactions energy: -29.729
where: short stacking energy: -29.729
Base-Backbone interact. energy: -0.088
local terms energy: -47.587258
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -8.924
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: 9, replica: 6
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -78.180931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.180931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.180931 (E_RNA)
where:
Base-Base interactions energy: -28.791
where: short stacking energy: -21.201
Base-Backbone interact. energy: -0.200
local terms energy: -49.189937
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -8.661
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: 10, replica: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -76.052059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.052059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.052059 (E_RNA)
where:
Base-Base interactions energy: -22.771
where: short stacking energy: -20.380
Base-Backbone interact. energy: 0.430
local terms energy: -53.711672
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -10.728
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -0.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -224.822564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.822564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.822564 (E_RNA)
where:
Base-Base interactions energy: -152.443
where: short stacking energy: -74.095
Base-Backbone interact. energy: -0.034
local terms energy: -72.344882
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -17.133
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: 7
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -220.157452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.157452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.157452 (E_RNA)
where:
Base-Base interactions energy: -149.763
where: short stacking energy: -60.781
Base-Backbone interact. energy: -0.008
local terms energy: -70.386029
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -5.072
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: 3, replica: 3
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -209.131250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.131250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.131250 (E_RNA)
where:
Base-Base interactions energy: -133.635
where: short stacking energy: -69.301
Base-Backbone interact. energy: -0.138
local terms energy: -75.358358
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -21.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -208.619890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.619890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.619890 (E_RNA)
where:
Base-Base interactions energy: -138.113
where: short stacking energy: -59.682
Base-Backbone interact. energy: -0.023
local terms energy: -70.483896
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -14.814
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: 2
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -164.008181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.008181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.008181 (E_RNA)
where:
Base-Base interactions energy: -101.950
where: short stacking energy: -48.425
Base-Backbone interact. energy: -0.095
local terms energy: -61.962877
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -14.168
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -10.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -85.337345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.337345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.337345 (E_RNA)
where:
Base-Base interactions energy: -33.472
where: short stacking energy: -32.735
Base-Backbone interact. energy: -0.047
local terms energy: -51.817580
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -1.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -178.582992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.582992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.582992 (E_RNA)
where:
Base-Base interactions energy: -119.298
where: short stacking energy: -59.590
Base-Backbone interact. energy: -0.329
local terms energy: -58.955238
where:
bonds (distance) C4'-P energy: -9.275
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -9.152
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -16.757
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: 1
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -86.054802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.054802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.054802 (E_RNA)
where:
Base-Base interactions energy: -33.070
where: short stacking energy: -33.070
Base-Backbone interact. energy: -0.031
local terms energy: -52.953999
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -7.342
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -8.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -88.579066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.579066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.579066 (E_RNA)
where:
Base-Base interactions energy: -37.997
where: short stacking energy: -33.441
Base-Backbone interact. energy: -0.047
local terms energy: -50.534090
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -3.107
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: 6
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -81.902510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.902510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.902510 (E_RNA)
where:
Base-Base interactions energy: -30.602
where: short stacking energy: -25.837
Base-Backbone interact. energy: 0.054
local terms energy: -51.354575
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -8.684
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -2.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -225.889731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.889731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.889731 (E_RNA)
where:
Base-Base interactions energy: -147.157
where: short stacking energy: -71.664
Base-Backbone interact. energy: 1.362
local terms energy: -80.095501
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -21.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -217.074182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.074182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.074182 (E_RNA)
where:
Base-Base interactions energy: -149.530
where: short stacking energy: -66.119
Base-Backbone interact. energy: -0.008
local terms energy: -67.536212
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -17.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -221.981094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.981094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.981094 (E_RNA)
where:
Base-Base interactions energy: -148.803
where: short stacking energy: -61.205
Base-Backbone interact. energy: 0.021
local terms energy: -73.198504
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -16.652
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: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -205.966003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.966003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.966003 (E_RNA)
where:
Base-Base interactions energy: -130.825
where: short stacking energy: -66.824
Base-Backbone interact. energy: -0.021
local terms energy: -75.119985
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -22.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -193.508075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.508075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.508075 (E_RNA)
where:
Base-Base interactions energy: -124.524
where: short stacking energy: -63.983
Base-Backbone interact. energy: -0.057
local terms energy: -68.926952
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -18.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -156.443752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.443752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.443752 (E_RNA)
where:
Base-Base interactions energy: -85.328
where: short stacking energy: -48.199
Base-Backbone interact. energy: -0.070
local terms energy: -71.045583
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -13.880
tors. eta vs tors. theta energy: -12.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -119.393508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.393508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.393508 (E_RNA)
where:
Base-Base interactions energy: -66.516
where: short stacking energy: -36.393
Base-Backbone interact. energy: -0.209
local terms energy: -52.668698
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -4.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -87.555211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.555211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.555211 (E_RNA)
where:
Base-Base interactions energy: -35.915
where: short stacking energy: -31.061
Base-Backbone interact. energy: 0.006
local terms energy: -51.646825
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -7.973
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -5.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -78.247676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.247676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.247676 (E_RNA)
where:
Base-Base interactions energy: -27.127
where: short stacking energy: -24.865
Base-Backbone interact. energy: -0.089
local terms energy: -51.031826
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -4.940
tors. eta vs tors. theta energy: -6.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -78.743484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.743484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.743484 (E_RNA)
where:
Base-Base interactions energy: -27.861
where: short stacking energy: -26.149
Base-Backbone interact. energy: -0.125
local terms energy: -50.757130
where:
bonds (distance) C4'-P energy: -8.489
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -1.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -224.144524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.144524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.144524 (E_RNA)
where:
Base-Base interactions energy: -144.443
where: short stacking energy: -62.442
Base-Backbone interact. energy: -0.157
local terms energy: -79.544834
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -19.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -225.425941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.425941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.425941 (E_RNA)
where:
Base-Base interactions energy: -147.213
where: short stacking energy: -70.724
Base-Backbone interact. energy: 0.007
local terms energy: -78.220239
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -20.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -212.466557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.466557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.466557 (E_RNA)
where:
Base-Base interactions energy: -141.196
where: short stacking energy: -67.062
Base-Backbone interact. energy: -0.008
local terms energy: -71.262931
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -18.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -171.521487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.521487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.521487 (E_RNA)
where:
Base-Base interactions energy: -109.595
where: short stacking energy: -46.906
Base-Backbone interact. energy: -0.525
local terms energy: -61.401021
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -9.793
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: 5, replica: 2
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -189.319553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.319553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.319553 (E_RNA)
where:
Base-Base interactions energy: -123.385
where: short stacking energy: -59.265
Base-Backbone interact. energy: -0.008
local terms energy: -65.926795
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -9.185
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -17.299
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: 6, replica: 4
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -163.290694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.290694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.290694 (E_RNA)
where:
Base-Base interactions energy: -97.367
where: short stacking energy: -48.211
Base-Backbone interact. energy: -0.146
local terms energy: -65.777674
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -12.981
tors. eta vs tors. theta energy: -7.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -132.476843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.476843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.476843 (E_RNA)
where:
Base-Base interactions energy: -73.913
where: short stacking energy: -36.402
Base-Backbone interact. energy: -0.681
local terms energy: -57.883451
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -2.890
tors. eta vs tors. theta energy: -10.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -86.161874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.161874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.161874 (E_RNA)
where:
Base-Base interactions energy: -30.309
where: short stacking energy: -29.461
Base-Backbone interact. energy: -0.097
local terms energy: -55.755329
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -2.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -92.817490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.817490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.817490 (E_RNA)
where:
Base-Base interactions energy: -43.397
where: short stacking energy: -24.962
Base-Backbone interact. energy: -0.313
local terms energy: -49.108108
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -0.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -71.523808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.523808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.523808 (E_RNA)
where:
Base-Base interactions energy: -27.323
where: short stacking energy: -27.124
Base-Backbone interact. energy: 0.005
local terms energy: -44.206210
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -1.500
tors. eta vs tors. theta energy: -0.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -222.557253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.557253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.557253 (E_RNA)
where:
Base-Base interactions energy: -145.596
where: short stacking energy: -73.737
Base-Backbone interact. energy: -0.165
local terms energy: -76.796021
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -20.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -214.489088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.489088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.489088 (E_RNA)
where:
Base-Base interactions energy: -135.889
where: short stacking energy: -60.374
Base-Backbone interact. energy: -0.088
local terms energy: -78.512077
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -18.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -214.112567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.112567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.112567 (E_RNA)
where:
Base-Base interactions energy: -138.995
where: short stacking energy: -63.702
Base-Backbone interact. energy: -0.104
local terms energy: -75.013431
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -17.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -197.752976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.752976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.752976 (E_RNA)
where:
Base-Base interactions energy: -128.117
where: short stacking energy: -63.651
Base-Backbone interact. energy: 0.435
local terms energy: -70.071787
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -11.817
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -19.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -165.521079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.521079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.521079 (E_RNA)
where:
Base-Base interactions energy: -102.798
where: short stacking energy: -43.879
Base-Backbone interact. energy: -0.009
local terms energy: -62.713862
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -10.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -162.626877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.626877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.626877 (E_RNA)
where:
Base-Base interactions energy: -102.197
where: short stacking energy: -52.587
Base-Backbone interact. energy: -0.076
local terms energy: -60.353310
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -2.534
tors. eta vs tors. theta energy: -17.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -103.861353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.861353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.861353 (E_RNA)
where:
Base-Base interactions energy: -51.348
where: short stacking energy: -19.419
Base-Backbone interact. energy: -0.747
local terms energy: -51.765726
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -7.079
tors. eta vs tors. theta energy: -2.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -85.493593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.493593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.493593 (E_RNA)
where:
Base-Base interactions energy: -29.222
where: short stacking energy: -27.682
Base-Backbone interact. energy: -0.172
local terms energy: -56.099026
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -3.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -87.535380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.535380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.535380 (E_RNA)
where:
Base-Base interactions energy: -42.619
where: short stacking energy: -42.619
Base-Backbone interact. energy: -0.018
local terms energy: -44.898593
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -6.934
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -9.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -72.187293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.187293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.187293 (E_RNA)
where:
Base-Base interactions energy: -26.510
where: short stacking energy: -15.897
Base-Backbone interact. energy: -0.388
local terms energy: -45.289130
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -8.754
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: 2.674
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: 1, replica: 3
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -231.215002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.215002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.215002 (E_RNA)
where:
Base-Base interactions energy: -152.400
where: short stacking energy: -73.406
Base-Backbone interact. energy: -0.004
local terms energy: -78.811583
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -19.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -221.776648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.776648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.776648 (E_RNA)
where:
Base-Base interactions energy: -144.878
where: short stacking energy: -65.003
Base-Backbone interact. energy: -0.095
local terms energy: -76.803928
where:
bonds (distance) C4'-P energy: -12.262
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -23.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -220.141957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.141957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.141957 (E_RNA)
where:
Base-Base interactions energy: -146.542
where: short stacking energy: -64.192
Base-Backbone interact. energy: -0.001
local terms energy: -73.599110
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -19.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -209.247253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.247253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.247253 (E_RNA)
where:
Base-Base interactions energy: -137.639
where: short stacking energy: -62.122
Base-Backbone interact. energy: -0.140
local terms energy: -71.468024
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -20.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -162.459415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.459415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.459415 (E_RNA)
where:
Base-Base interactions energy: -100.555
where: short stacking energy: -44.110
Base-Backbone interact. energy: -0.570
local terms energy: -61.334910
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -10.442
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -7.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -184.718533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.718533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.718533 (E_RNA)
where:
Base-Base interactions energy: -121.663
where: short stacking energy: -47.241
Base-Backbone interact. energy: -0.124
local terms energy: -62.931658
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -9.207
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -17.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -95.831054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.831054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.831054 (E_RNA)
where:
Base-Base interactions energy: -39.553
where: short stacking energy: -31.791
Base-Backbone interact. energy: -0.297
local terms energy: -55.980548
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -7.483
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -4.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -84.611534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.611534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.611534 (E_RNA)
where:
Base-Base interactions energy: -23.889
where: short stacking energy: -21.876
Base-Backbone interact. energy: -0.189
local terms energy: -60.533914
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -6.829
tors. eta vs tors. theta energy: -5.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -85.262518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.262518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.262518 (E_RNA)
where:
Base-Base interactions energy: -30.551
where: short stacking energy: -26.079
Base-Backbone interact. energy: -0.476
local terms energy: -54.235039
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -4.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -78.779336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.779336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.779336 (E_RNA)
where:
Base-Base interactions energy: -25.501
where: short stacking energy: -24.384
Base-Backbone interact. energy: 0.258
local terms energy: -53.536184
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -9.511
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: 3
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -211.884819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.884819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.884819 (E_RNA)
where:
Base-Base interactions energy: -137.464
where: short stacking energy: -65.989
Base-Backbone interact. energy: -0.259
local terms energy: -74.161840
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -20.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -227.560220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.560220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.560220 (E_RNA)
where:
Base-Base interactions energy: -147.066
where: short stacking energy: -55.765
Base-Backbone interact. energy: -0.111
local terms energy: -80.383256
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -19.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -218.901790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.901790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.901790 (E_RNA)
where:
Base-Base interactions energy: -142.613
where: short stacking energy: -69.282
Base-Backbone interact. energy: -0.002
local terms energy: -76.286878
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -19.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -212.665146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.665146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.665146 (E_RNA)
where:
Base-Base interactions energy: -139.402
where: short stacking energy: -61.805
Base-Backbone interact. energy: -0.209
local terms energy: -73.054569
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -19.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -174.922424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.922424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.922424 (E_RNA)
where:
Base-Base interactions energy: -122.268
where: short stacking energy: -46.267
Base-Backbone interact. energy: -0.309
local terms energy: -52.345782
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -9.332
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -7.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -191.749650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.749650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.749650 (E_RNA)
where:
Base-Base interactions energy: -127.149
where: short stacking energy: -52.164
Base-Backbone interact. energy: -0.077
local terms energy: -64.522930
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -10.827
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -5.095
tors. eta vs tors. theta energy: -19.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -94.501469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.501469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.501469 (E_RNA)
where:
Base-Base interactions energy: -43.927
where: short stacking energy: -24.184
Base-Backbone interact. energy: -0.106
local terms energy: -50.468705
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -3.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -86.711846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.711846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.711846 (E_RNA)
where:
Base-Base interactions energy: -41.928
where: short stacking energy: -30.262
Base-Backbone interact. energy: -0.271
local terms energy: -44.512942
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -9.995
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: 0.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -76.843644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.843644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.843644 (E_RNA)
where:
Base-Base interactions energy: -27.999
where: short stacking energy: -20.926
Base-Backbone interact. energy: -0.285
local terms energy: -48.560017
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -0.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -78.846447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.846447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.846447 (E_RNA)
where:
Base-Base interactions energy: -30.835
where: short stacking energy: -29.666
Base-Backbone interact. energy: -0.188
local terms energy: -47.822910
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -15.922
flat angles C4'-P-C4' energy: -9.484
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -1.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -223.482618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.482618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.482618 (E_RNA)
where:
Base-Base interactions energy: -146.925
where: short stacking energy: -63.282
Base-Backbone interact. energy: -0.020
local terms energy: -76.537878
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -20.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -219.710637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.710637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.710637 (E_RNA)
where:
Base-Base interactions energy: -144.408
where: short stacking energy: -67.161
Base-Backbone interact. energy: -0.025
local terms energy: -75.277125
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -20.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -219.999755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.999755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.999755 (E_RNA)
where:
Base-Base interactions energy: -147.934
where: short stacking energy: -72.277
Base-Backbone interact. energy: -0.008
local terms energy: -72.058069
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -18.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -213.323721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.323721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.323721 (E_RNA)
where:
Base-Base interactions energy: -134.660
where: short stacking energy: -67.579
Base-Backbone interact. energy: -0.055
local terms energy: -78.609455
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -20.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -202.861323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.861323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.861323 (E_RNA)
where:
Base-Base interactions energy: -132.296
where: short stacking energy: -63.713
Base-Backbone interact. energy: -0.013
local terms energy: -70.552856
where:
bonds (distance) C4'-P energy: -8.888
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -19.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -197.698352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.698352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.698352 (E_RNA)
where:
Base-Base interactions energy: -125.786
where: short stacking energy: -52.518
Base-Backbone interact. energy: -0.101
local terms energy: -71.812116
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -11.907
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -18.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -102.912114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.912114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.912114 (E_RNA)
where:
Base-Base interactions energy: -53.227
where: short stacking energy: -26.447
Base-Backbone interact. energy: 0.969
local terms energy: -50.653481
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -5.962
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: 8, replica: 9
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -82.184063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.184063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.184063 (E_RNA)
where:
Base-Base interactions energy: -27.613
where: short stacking energy: -21.403
Base-Backbone interact. energy: -0.247
local terms energy: -54.323359
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -4.753
tors. eta vs tors. theta energy: -4.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -88.859767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.859767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.859767 (E_RNA)
where:
Base-Base interactions energy: -37.004
where: short stacking energy: -36.636
Base-Backbone interact. energy: -0.623
local terms energy: -51.232968
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -4.808
tors. eta vs tors. theta energy: -3.761
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: 1
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -75.840791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.840791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.840791 (E_RNA)
where:
Base-Base interactions energy: -28.735
where: short stacking energy: -16.545
Base-Backbone interact. energy: -0.145
local terms energy: -46.960676
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -5.181
tors. eta vs tors. theta energy: 0.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -221.151248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.151248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.151248 (E_RNA)
where:
Base-Base interactions energy: -145.799
where: short stacking energy: -63.773
Base-Backbone interact. energy: -0.049
local terms energy: -75.303675
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: -20.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -212.202388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.202388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.202388 (E_RNA)
where:
Base-Base interactions energy: -139.833
where: short stacking energy: -70.635
Base-Backbone interact. energy: -0.119
local terms energy: -72.250346
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -8.974
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -20.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -213.818630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.818630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.818630 (E_RNA)
where:
Base-Base interactions energy: -150.627
where: short stacking energy: -60.012
Base-Backbone interact. energy: -0.093
local terms energy: -63.099080
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: -14.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -213.613650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.613650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.613650 (E_RNA)
where:
Base-Base interactions energy: -140.750
where: short stacking energy: -67.740
Base-Backbone interact. energy: 0.001
local terms energy: -72.864430
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -13.915
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -20.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -201.804425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.804425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.804425 (E_RNA)
where:
Base-Base interactions energy: -128.839
where: short stacking energy: -68.079
Base-Backbone interact. energy: -0.003
local terms energy: -72.962036
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -18.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -192.219327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.219327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.219327 (E_RNA)
where:
Base-Base interactions energy: -127.145
where: short stacking energy: -64.451
Base-Backbone interact. energy: -0.194
local terms energy: -64.880958
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -10.755
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -17.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -92.339468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.339468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.339468 (E_RNA)
where:
Base-Base interactions energy: -50.250
where: short stacking energy: -24.945
Base-Backbone interact. energy: -0.145
local terms energy: -41.944332
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -11.061
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -3.908
tors. eta vs tors. theta energy: -1.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -86.190367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.190367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.190367 (E_RNA)
where:
Base-Base interactions energy: -44.636
where: short stacking energy: -31.745
Base-Backbone interact. energy: -0.278
local terms energy: -41.275554
where:
bonds (distance) C4'-P energy: -7.289
bonds (distance) P-C4' energy: -10.736
flat angles C4'-P-C4' energy: -11.103
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -1.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -79.127375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.127375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.127375 (E_RNA)
where:
Base-Base interactions energy: -40.247
where: short stacking energy: -31.095
Base-Backbone interact. energy: -1.061
local terms energy: -37.819773
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -6.739
flat angles C4'-P-C4' energy: -5.173
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -5.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -75.066335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.066335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.066335 (E_RNA)
where:
Base-Base interactions energy: -41.701
where: short stacking energy: -26.779
Base-Backbone interact. energy: -0.217
local terms energy: -33.148388
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -12.907
flat angles C4'-P-C4' energy: -4.045
flat angles P-C4'-P energy: -3.717
tors. eta vs tors. theta energy: 4.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -222.326611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.326611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.326611 (E_RNA)
where:
Base-Base interactions energy: -139.898
where: short stacking energy: -58.916
Base-Backbone interact. energy: -0.008
local terms energy: -82.420903
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -15.206
tors. eta vs tors. theta energy: -18.914
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: 10
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -217.624386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.624386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.624386 (E_RNA)
where:
Base-Base interactions energy: -144.299
where: short stacking energy: -68.347
Base-Backbone interact. energy: -0.103
local terms energy: -73.221898
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -19.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -212.361509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.361509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.361509 (E_RNA)
where:
Base-Base interactions energy: -148.289
where: short stacking energy: -64.730
Base-Backbone interact. energy: -0.007
local terms energy: -64.065150
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -13.984
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: 2
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -197.125788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.125788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.125788 (E_RNA)
where:
Base-Base interactions energy: -124.207
where: short stacking energy: -55.106
Base-Backbone interact. energy: -1.076
local terms energy: -71.842089
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -17.478
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: 5, replica: 4
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -203.922366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.922366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.922366 (E_RNA)
where:
Base-Base interactions energy: -131.736
where: short stacking energy: -63.024
Base-Backbone interact. energy: -0.010
local terms energy: -72.175457
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -18.011
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -17.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -186.513152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.513152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.513152 (E_RNA)
where:
Base-Base interactions energy: -121.887
where: short stacking energy: -52.308
Base-Backbone interact. energy: -0.008
local terms energy: -64.618016
where:
bonds (distance) C4'-P energy: -10.212
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -12.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -88.802118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.802118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.802118 (E_RNA)
where:
Base-Base interactions energy: -39.987
where: short stacking energy: -30.697
Base-Backbone interact. energy: -0.469
local terms energy: -48.346131
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: 0.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -73.565972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.565972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.565972 (E_RNA)
where:
Base-Base interactions energy: -19.104
where: short stacking energy: -13.965
Base-Backbone interact. energy: -0.081
local terms energy: -54.380834
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -11.037
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -87.136949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.136949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.136949 (E_RNA)
where:
Base-Base interactions energy: -46.087
where: short stacking energy: -31.506
Base-Backbone interact. energy: 0.343
local terms energy: -41.392635
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -7.656
flat angles P-C4'-P energy: -3.268
tors. eta vs tors. theta energy: -6.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -77.291150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.291150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.291150 (E_RNA)
where:
Base-Base interactions energy: -35.238
where: short stacking energy: -25.268
Base-Backbone interact. energy: -0.054
local terms energy: -41.999293
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -15.369
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -3.170
tors. eta vs tors. theta energy: -0.339
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: 1, replica: 7
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -224.033500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.033500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.033500 (E_RNA)
where:
Base-Base interactions energy: -149.281
where: short stacking energy: -68.720
Base-Backbone interact. energy: 0.101
local terms energy: -74.854407
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -19.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -224.477155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.477155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.477155 (E_RNA)
where:
Base-Base interactions energy: -147.038
where: short stacking energy: -69.877
Base-Backbone interact. energy: -0.184
local terms energy: -77.255514
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -21.175
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: 10
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -216.965475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.965475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.965475 (E_RNA)
where:
Base-Base interactions energy: -140.643
where: short stacking energy: -57.716
Base-Backbone interact. energy: -0.072
local terms energy: -76.250465
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -5.792
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: 4, replica: 4
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -192.784106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.784106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.784106 (E_RNA)
where:
Base-Base interactions energy: -126.493
where: short stacking energy: -50.807
Base-Backbone interact. energy: -0.099
local terms energy: -66.192174
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -13.095
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: 329
Temperature: 1.100000
Total energy: -187.113936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.113936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.113936 (E_RNA)
where:
Base-Base interactions energy: -119.316
where: short stacking energy: -54.473
Base-Backbone interact. energy: -0.883
local terms energy: -66.914642
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -16.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -198.306589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.306589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.306589 (E_RNA)
where:
Base-Base interactions energy: -129.325
where: short stacking energy: -56.139
Base-Backbone interact. energy: -0.002
local terms energy: -68.980327
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -15.397
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: 7, replica: 6
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -97.638195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.638195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.638195 (E_RNA)
where:
Base-Base interactions energy: -37.381
where: short stacking energy: -31.707
Base-Backbone interact. energy: 0.066
local terms energy: -60.323446
where:
bonds (distance) C4'-P energy: -9.776
bonds (distance) P-C4' energy: -18.261
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -5.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -94.911358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.911358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.911358 (E_RNA)
where:
Base-Base interactions energy: -47.731
where: short stacking energy: -34.742
Base-Backbone interact. energy: 0.043
local terms energy: -47.222965
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -6.523
tors. eta vs tors. theta energy: -4.873
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: 9, replica: 8
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -77.147172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.147172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.147172 (E_RNA)
where:
Base-Base interactions energy: -32.642
where: short stacking energy: -32.257
Base-Backbone interact. energy: -0.016
local terms energy: -44.489627
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -8.360
flat angles P-C4'-P energy: -4.719
tors. eta vs tors. theta energy: -4.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -75.958162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.958162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.958162 (E_RNA)
where:
Base-Base interactions energy: -26.447
where: short stacking energy: -6.412
Base-Backbone interact. energy: -0.323
local terms energy: -49.188675
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -13.259
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: 3
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -224.805614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.805614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.805614 (E_RNA)
where:
Base-Base interactions energy: -150.057
where: short stacking energy: -59.922
Base-Backbone interact. energy: -0.739
local terms energy: -74.009549
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: -14.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -222.359726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.359726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.359726 (E_RNA)
where:
Base-Base interactions energy: -147.031
where: short stacking energy: -70.109
Base-Backbone interact. energy: -0.005
local terms energy: -75.323655
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -20.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -207.847253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.847253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.847253 (E_RNA)
where:
Base-Base interactions energy: -128.481
where: short stacking energy: -65.593
Base-Backbone interact. energy: 0.103
local terms energy: -79.470140
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -21.881
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: 4
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -194.754377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.754377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.754377 (E_RNA)
where:
Base-Base interactions energy: -128.169
where: short stacking energy: -47.857
Base-Backbone interact. energy: -0.068
local terms energy: -66.517592
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -17.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -215.433183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.433183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.433183 (E_RNA)
where:
Base-Base interactions energy: -143.848
where: short stacking energy: -55.557
Base-Backbone interact. energy: -0.014
local terms energy: -71.571518
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -18.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -163.230106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.230106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.230106 (E_RNA)
where:
Base-Base interactions energy: -109.569
where: short stacking energy: -48.688
Base-Backbone interact. energy: -0.072
local terms energy: -53.589144
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -10.446
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -10.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -90.775919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.775919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.775919 (E_RNA)
where:
Base-Base interactions energy: -40.246
where: short stacking energy: -29.477
Base-Backbone interact. energy: 0.224
local terms energy: -50.753622
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -10.638
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -3.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -82.557925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.557925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.557925 (E_RNA)
where:
Base-Base interactions energy: -34.186
where: short stacking energy: -33.762
Base-Backbone interact. energy: -0.045
local terms energy: -48.326696
where:
bonds (distance) C4'-P energy: -5.201
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -7.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -76.516939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.516939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.516939 (E_RNA)
where:
Base-Base interactions energy: -26.398
where: short stacking energy: -23.433
Base-Backbone interact. energy: -0.231
local terms energy: -49.887940
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -9.560
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -80.308605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.308605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.308605 (E_RNA)
where:
Base-Base interactions energy: -24.051
where: short stacking energy: -14.427
Base-Backbone interact. energy: 0.287
local terms energy: -56.544485
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -3.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -215.736735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.736735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.736735 (E_RNA)
where:
Base-Base interactions energy: -141.424
where: short stacking energy: -67.772
Base-Backbone interact. energy: 0.052
local terms energy: -74.364561
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -10.796
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -22.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -223.588273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.588273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.588273 (E_RNA)
where:
Base-Base interactions energy: -140.317
where: short stacking energy: -71.083
Base-Backbone interact. energy: -0.131
local terms energy: -83.140630
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -23.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -212.184001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.184001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.184001 (E_RNA)
where:
Base-Base interactions energy: -143.693
where: short stacking energy: -66.283
Base-Backbone interact. energy: -0.409
local terms energy: -68.081434
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -4.207
tors. eta vs tors. theta energy: -19.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -212.317715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.317715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.317715 (E_RNA)
where:
Base-Base interactions energy: -141.327
where: short stacking energy: -65.119
Base-Backbone interact. energy: -0.001
local terms energy: -70.989524
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -6.312
tors. eta vs tors. theta energy: -20.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -190.504974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.504974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.504974 (E_RNA)
where:
Base-Base interactions energy: -116.658
where: short stacking energy: -54.614
Base-Backbone interact. energy: -0.091
local terms energy: -73.755908
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -16.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -100.962857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.962857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.962857 (E_RNA)
where:
Base-Base interactions energy: -57.355
where: short stacking energy: -34.627
Base-Backbone interact. energy: -0.230
local terms energy: -43.377590
where:
bonds (distance) C4'-P energy: -7.978
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -8.758
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: -3.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -165.015023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.015023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.015023 (E_RNA)
where:
Base-Base interactions energy: -103.551
where: short stacking energy: -57.197
Base-Backbone interact. energy: -0.029
local terms energy: -61.434350
where:
bonds (distance) C4'-P energy: -7.665
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -15.158
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: 331
Temperature: 1.250000
Total energy: -85.862184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.862184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.862184 (E_RNA)
where:
Base-Base interactions energy: -32.929
where: short stacking energy: -27.325
Base-Backbone interact. energy: -0.171
local terms energy: -52.762111
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -10.534
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -0.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -91.924120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.924120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.924120 (E_RNA)
where:
Base-Base interactions energy: -44.658
where: short stacking energy: -26.175
Base-Backbone interact. energy: -0.271
local terms energy: -46.995524
where:
bonds (distance) C4'-P energy: -8.535
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -2.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -71.653177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.653177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.653177 (E_RNA)
where:
Base-Base interactions energy: -24.555
where: short stacking energy: -24.555
Base-Backbone interact. energy: 1.710
local terms energy: -48.808365
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -11.040
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -3.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -224.636320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.636320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.636320 (E_RNA)
where:
Base-Base interactions energy: -151.502
where: short stacking energy: -72.923
Base-Backbone interact. energy: -0.003
local terms energy: -73.131482
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -18.806
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -20.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -226.235066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.235066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.235066 (E_RNA)
where:
Base-Base interactions energy: -148.934
where: short stacking energy: -67.941
Base-Backbone interact. energy: 0.034
local terms energy: -77.335367
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -19.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -216.468831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.468831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.468831 (E_RNA)
where:
Base-Base interactions energy: -144.292
where: short stacking energy: -68.641
Base-Backbone interact. energy: -0.002
local terms energy: -72.174725
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -17.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -210.001923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.001923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.001923 (E_RNA)
where:
Base-Base interactions energy: -143.476
where: short stacking energy: -56.817
Base-Backbone interact. energy: -0.021
local terms energy: -66.505160
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -18.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -205.483732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.483732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.483732 (E_RNA)
where:
Base-Base interactions energy: -136.409
where: short stacking energy: -59.225
Base-Backbone interact. energy: 0.067
local terms energy: -69.141123
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -15.225
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: 1
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -88.477974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.477974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.477974 (E_RNA)
where:
Base-Base interactions energy: -35.572
where: short stacking energy: -31.624
Base-Backbone interact. energy: -0.207
local terms energy: -52.698926
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -2.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -184.675128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.675128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.675128 (E_RNA)
where:
Base-Base interactions energy: -116.819
where: short stacking energy: -53.974
Base-Backbone interact. energy: -0.056
local terms energy: -67.799464
where:
bonds (distance) C4'-P energy: -9.119
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -18.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -101.228957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.228957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.228957 (E_RNA)
where:
Base-Base interactions energy: -47.078
where: short stacking energy: -47.078
Base-Backbone interact. energy: -0.188
local terms energy: -53.963736
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -7.413
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -8.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -82.824857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.824857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.824857 (E_RNA)
where:
Base-Base interactions energy: -34.243
where: short stacking energy: -33.339
Base-Backbone interact. energy: -0.038
local terms energy: -48.544008
where:
bonds (distance) C4'-P energy: -12.921
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -6.550
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -3.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -74.235740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.235740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.235740 (E_RNA)
where:
Base-Base interactions energy: -22.471
where: short stacking energy: -22.278
Base-Backbone interact. energy: -0.503
local terms energy: -51.261665
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: 2.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -221.851429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.851429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.851429 (E_RNA)
where:
Base-Base interactions energy: -143.737
where: short stacking energy: -67.399
Base-Backbone interact. energy: -0.002
local terms energy: -78.112128
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -21.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -227.354642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.354642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.354642 (E_RNA)
where:
Base-Base interactions energy: -151.288
where: short stacking energy: -66.162
Base-Backbone interact. energy: -0.024
local terms energy: -76.042514
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -16.644
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -18.821
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: 5
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -213.042171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.042171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.042171 (E_RNA)
where:
Base-Base interactions energy: -146.385
where: short stacking energy: -58.627
Base-Backbone interact. energy: -0.441
local terms energy: -66.215509
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -12.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -202.779729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.779729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.779729 (E_RNA)
where:
Base-Base interactions energy: -132.540
where: short stacking energy: -57.446
Base-Backbone interact. energy: -0.011
local terms energy: -70.228405
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -14.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -207.177487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.177487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.177487 (E_RNA)
where:
Base-Base interactions energy: -135.460
where: short stacking energy: -70.411
Base-Backbone interact. energy: -0.071
local terms energy: -71.647255
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -20.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -182.714763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.714763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.714763 (E_RNA)
where:
Base-Base interactions energy: -125.729
where: short stacking energy: -56.587
Base-Backbone interact. energy: -0.359
local terms energy: -56.627314
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -16.551
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: 1
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -96.475308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.475308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.475308 (E_RNA)
where:
Base-Base interactions energy: -39.534
where: short stacking energy: -39.534
Base-Backbone interact. energy: -0.046
local terms energy: -56.895177
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -5.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -94.980771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.980771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.980771 (E_RNA)
where:
Base-Base interactions energy: -40.139
where: short stacking energy: -40.139
Base-Backbone interact. energy: -0.049
local terms energy: -54.792909
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -9.992
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -8.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -82.234548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.234548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.234548 (E_RNA)
where:
Base-Base interactions energy: -35.614
where: short stacking energy: -20.234
Base-Backbone interact. energy: -1.246
local terms energy: -45.374591
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -9.118
flat angles C4'-P-C4' energy: -10.852
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: 0.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -76.833149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.833149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.833149 (E_RNA)
where:
Base-Base interactions energy: -30.682
where: short stacking energy: -23.046
Base-Backbone interact. energy: -0.128
local terms energy: -46.024063
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -11.984
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -2.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -216.051898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.051898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.051898 (E_RNA)
where:
Base-Base interactions energy: -133.166
where: short stacking energy: -68.627
Base-Backbone interact. energy: -0.002
local terms energy: -82.884285
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -23.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -212.947401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.947401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.947401 (E_RNA)
where:
Base-Base interactions energy: -143.861
where: short stacking energy: -54.592
Base-Backbone interact. energy: 0.355
local terms energy: -69.441782
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -15.973
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: 4
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -203.989589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.989589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.989589 (E_RNA)
where:
Base-Base interactions energy: -128.972
where: short stacking energy: -57.190
Base-Backbone interact. energy: -0.159
local terms energy: -74.857822
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -19.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -216.128645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.128645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.128645 (E_RNA)
where:
Base-Base interactions energy: -142.994
where: short stacking energy: -64.899
Base-Backbone interact. energy: -0.006
local terms energy: -73.129136
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -6.429
tors. eta vs tors. theta energy: -22.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -196.976886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.976886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.976886 (E_RNA)
where:
Base-Base interactions energy: -124.438
where: short stacking energy: -60.151
Base-Backbone interact. energy: -0.002
local terms energy: -72.536483
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -17.072
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: 2
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -166.831762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.831762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.831762 (E_RNA)
where:
Base-Base interactions energy: -107.908
where: short stacking energy: -48.781
Base-Backbone interact. energy: -0.524
local terms energy: -58.399905
where:
bonds (distance) C4'-P energy: -8.471
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -5.988
tors. eta vs tors. theta energy: -14.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -117.045298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.045298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.045298 (E_RNA)
where:
Base-Base interactions energy: -64.194
where: short stacking energy: -36.755
Base-Backbone interact. energy: -0.094
local terms energy: -52.756934
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -6.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -91.536298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.536298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.536298 (E_RNA)
where:
Base-Base interactions energy: -35.997
where: short stacking energy: -25.652
Base-Backbone interact. energy: -0.183
local terms energy: -55.356250
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -5.577
tors. eta vs tors. theta energy: -3.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -95.181792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.181792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.181792 (E_RNA)
where:
Base-Base interactions energy: -39.260
where: short stacking energy: -24.168
Base-Backbone interact. energy: -1.004
local terms energy: -54.917743
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -2.370
tors. eta vs tors. theta energy: -4.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -70.868506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.868506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.868506 (E_RNA)
where:
Base-Base interactions energy: -29.598
where: short stacking energy: -23.665
Base-Backbone interact. energy: -0.050
local terms energy: -41.220015
where:
bonds (distance) C4'-P energy: -9.815
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -10.175
flat angles P-C4'-P energy: -3.699
tors. eta vs tors. theta energy: -4.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -222.860140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.860140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.860140 (E_RNA)
where:
Base-Base interactions energy: -148.403
where: short stacking energy: -67.219
Base-Backbone interact. energy: -0.140
local terms energy: -74.317223
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -17.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -221.584224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.584224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.584224 (E_RNA)
where:
Base-Base interactions energy: -147.705
where: short stacking energy: -58.098
Base-Backbone interact. energy: -0.062
local terms energy: -73.817810
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -6.030
tors. eta vs tors. theta energy: -19.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -202.580110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.580110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.580110 (E_RNA)
where:
Base-Base interactions energy: -131.576
where: short stacking energy: -48.943
Base-Backbone interact. energy: 1.173
local terms energy: -72.177095
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -18.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -205.530943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.530943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.530943 (E_RNA)
where:
Base-Base interactions energy: -131.507
where: short stacking energy: -66.933
Base-Backbone interact. energy: -0.155
local terms energy: -73.868870
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -20.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -193.095319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.095319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.095319 (E_RNA)
where:
Base-Base interactions energy: -129.134
where: short stacking energy: -55.632
Base-Backbone interact. energy: -0.215
local terms energy: -63.746280
where:
bonds (distance) C4'-P energy: -10.978
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -13.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -191.397389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.397389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.397389 (E_RNA)
where:
Base-Base interactions energy: -131.007
where: short stacking energy: -50.154
Base-Backbone interact. energy: -0.214
local terms energy: -60.176229
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -0.546
tors. eta vs tors. theta energy: -17.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -90.898713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.898713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.898713 (E_RNA)
where:
Base-Base interactions energy: -43.330
where: short stacking energy: -34.378
Base-Backbone interact. energy: 0.332
local terms energy: -47.901309
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -3.098
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: 6
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -85.989914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.989914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.989914 (E_RNA)
where:
Base-Base interactions energy: -41.314
where: short stacking energy: -25.932
Base-Backbone interact. energy: 0.938
local terms energy: -45.613288
where:
bonds (distance) C4'-P energy: -9.197
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -8.560
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: 1
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -79.822909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.822909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.822909 (E_RNA)
where:
Base-Base interactions energy: -26.229
where: short stacking energy: -20.544
Base-Backbone interact. energy: -0.106
local terms energy: -53.488246
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -11.826
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -5.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -75.953775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.953775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.953775 (E_RNA)
where:
Base-Base interactions energy: -22.325
where: short stacking energy: -22.144
Base-Backbone interact. energy: -0.057
local terms energy: -53.571715
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -3.898
tors. eta vs tors. theta energy: -5.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -224.011572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.011572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.011572 (E_RNA)
where:
Base-Base interactions energy: -150.026
where: short stacking energy: -65.219
Base-Backbone interact. energy: -0.020
local terms energy: -73.965856
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -12.891
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -20.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -211.935584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.935584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.935584 (E_RNA)
where:
Base-Base interactions energy: -144.672
where: short stacking energy: -64.666
Base-Backbone interact. energy: 1.117
local terms energy: -68.381241
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -14.645
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: 3
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -201.885283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.885283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.885283 (E_RNA)
where:
Base-Base interactions energy: -130.576
where: short stacking energy: -58.654
Base-Backbone interact. energy: -0.017
local terms energy: -71.292304
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -14.048
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: 4, replica: 5
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -212.119228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.119228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.119228 (E_RNA)
where:
Base-Base interactions energy: -135.851
where: short stacking energy: -64.919
Base-Backbone interact. energy: -0.431
local terms energy: -75.836982
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -19.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -202.434059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.434059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.434059 (E_RNA)
where:
Base-Base interactions energy: -132.798
where: short stacking energy: -50.878
Base-Backbone interact. energy: -0.447
local terms energy: -69.189535
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -20.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -162.581006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.581006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.581006 (E_RNA)
where:
Base-Base interactions energy: -93.722
where: short stacking energy: -49.143
Base-Backbone interact. energy: -0.258
local terms energy: -68.600256
where:
bonds (distance) C4'-P energy: -8.580
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -15.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -86.689091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.689091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.689091 (E_RNA)
where:
Base-Base interactions energy: -46.305
where: short stacking energy: -25.177
Base-Backbone interact. energy: -0.079
local terms energy: -40.305120
where:
bonds (distance) C4'-P energy: -4.088
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -5.323
tors. eta vs tors. theta energy: -4.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -86.878042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.878042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.878042 (E_RNA)
where:
Base-Base interactions energy: -41.554
where: short stacking energy: -25.315
Base-Backbone interact. energy: -0.214
local terms energy: -45.110143
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -4.389
tors. eta vs tors. theta energy: -3.372
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: 8
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -90.659298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.659298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.659298 (E_RNA)
where:
Base-Base interactions energy: -32.799
where: short stacking energy: -32.799
Base-Backbone interact. energy: -0.242
local terms energy: -57.618249
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -10.665
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -5.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -78.566663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.566663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.566663 (E_RNA)
where:
Base-Base interactions energy: -40.567
where: short stacking energy: -17.987
Base-Backbone interact. energy: -0.102
local terms energy: -37.898112
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -10.895
flat angles P-C4'-P energy: -3.963
tors. eta vs tors. theta energy: 0.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -220.249203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.249203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.249203 (E_RNA)
where:
Base-Base interactions energy: -133.747
where: short stacking energy: -68.321
Base-Backbone interact. energy: -0.105
local terms energy: -86.396737
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -14.594
tors. eta vs tors. theta energy: -21.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -199.551765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.551765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.551765 (E_RNA)
where:
Base-Base interactions energy: -127.401
where: short stacking energy: -54.475
Base-Backbone interact. energy: -0.073
local terms energy: -72.078053
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -13.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -206.565459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.565459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.565459 (E_RNA)
where:
Base-Base interactions energy: -143.642
where: short stacking energy: -54.570
Base-Backbone interact. energy: 0.129
local terms energy: -63.052938
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -14.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -202.194958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.194958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.194958 (E_RNA)
where:
Base-Base interactions energy: -132.974
where: short stacking energy: -66.494
Base-Backbone interact. energy: -0.003
local terms energy: -69.217385
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -10.506
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -18.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -204.401077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.401077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.401077 (E_RNA)
where:
Base-Base interactions energy: -127.342
where: short stacking energy: -65.582
Base-Backbone interact. energy: -0.195
local terms energy: -76.864009
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -23.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -156.454810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.454810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.454810 (E_RNA)
where:
Base-Base interactions energy: -97.072
where: short stacking energy: -44.733
Base-Backbone interact. energy: -0.039
local terms energy: -59.343263
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -9.436
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -15.424
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: 9
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -93.920359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.920359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.920359 (E_RNA)
where:
Base-Base interactions energy: -37.275
where: short stacking energy: -29.434
Base-Backbone interact. energy: -0.078
local terms energy: -56.567356
where:
bonds (distance) C4'-P energy: -9.722
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -4.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -85.245007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.245007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.245007 (E_RNA)
where:
Base-Base interactions energy: -32.388
where: short stacking energy: -33.188
Base-Backbone interact. energy: -0.023
local terms energy: -52.833631
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -11.579
flat angles C4'-P-C4' energy: -7.752
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -6.935
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: 6
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -80.804582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.804582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.804582 (E_RNA)
where:
Base-Base interactions energy: -29.998
where: short stacking energy: -28.694
Base-Backbone interact. energy: -0.305
local terms energy: -50.501368
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -5.616
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -7.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -75.840657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.840657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.840657 (E_RNA)
where:
Base-Base interactions energy: -23.733
where: short stacking energy: -24.761
Base-Backbone interact. energy: -0.143
local terms energy: -51.964214
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -4.513
tors. eta vs tors. theta energy: -3.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -219.684328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.684328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.684328 (E_RNA)
where:
Base-Base interactions energy: -141.401
where: short stacking energy: -66.667
Base-Backbone interact. energy: -0.004
local terms energy: -78.279312
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -10.771
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -20.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -199.064964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.064964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.064964 (E_RNA)
where:
Base-Base interactions energy: -126.895
where: short stacking energy: -50.604
Base-Backbone interact. energy: -0.095
local terms energy: -72.074725
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -15.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -213.765723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.765723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.765723 (E_RNA)
where:
Base-Base interactions energy: -140.842
where: short stacking energy: -64.713
Base-Backbone interact. energy: -0.010
local terms energy: -72.913800
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -16.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -211.142770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.142770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.142770 (E_RNA)
where:
Base-Base interactions energy: -137.503
where: short stacking energy: -58.580
Base-Backbone interact. energy: -0.011
local terms energy: -73.627965
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -13.227
tors. eta vs tors. theta energy: -15.961
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: 5, replica: 7
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -157.993091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.993091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.993091 (E_RNA)
where:
Base-Base interactions energy: -97.397
where: short stacking energy: -47.281
Base-Backbone interact. energy: -0.175
local terms energy: -60.421404
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -9.758
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -10.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -155.780176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.780176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.780176 (E_RNA)
where:
Base-Base interactions energy: -99.977
where: short stacking energy: -52.645
Base-Backbone interact. energy: -0.130
local terms energy: -55.673764
where:
bonds (distance) C4'-P energy: -6.037
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -12.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -95.805001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.805001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.805001 (E_RNA)
where:
Base-Base interactions energy: -40.846
where: short stacking energy: -35.897
Base-Backbone interact. energy: -0.126
local terms energy: -54.833656
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -1.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -84.119706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.119706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.119706 (E_RNA)
where:
Base-Base interactions energy: -29.003
where: short stacking energy: -29.003
Base-Backbone interact. energy: -0.080
local terms energy: -55.036588
where:
bonds (distance) C4'-P energy: -10.614
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -5.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -79.256247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.256247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.256247 (E_RNA)
where:
Base-Base interactions energy: -32.917
where: short stacking energy: -20.623
Base-Backbone interact. energy: -0.349
local terms energy: -45.990621
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -10.327
flat angles P-C4'-P energy: -4.785
tors. eta vs tors. theta energy: -2.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -79.466193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.466193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.466193 (E_RNA)
where:
Base-Base interactions energy: -35.460
where: short stacking energy: -23.430
Base-Backbone interact. energy: -0.236
local terms energy: -43.770216
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: 0.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -227.003543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.003543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.003543 (E_RNA)
where:
Base-Base interactions energy: -146.920
where: short stacking energy: -65.247
Base-Backbone interact. energy: -0.072
local terms energy: -80.011641
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -21.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -223.414045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.414045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.414045 (E_RNA)
where:
Base-Base interactions energy: -151.326
where: short stacking energy: -69.885
Base-Backbone interact. energy: 0.022
local terms energy: -72.110116
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -17.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -199.595622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.595622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.595622 (E_RNA)
where:
Base-Base interactions energy: -128.276
where: short stacking energy: -55.180
Base-Backbone interact. energy: -0.004
local terms energy: -71.315568
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -13.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -209.814946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.814946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.814946 (E_RNA)
where:
Base-Base interactions energy: -133.327
where: short stacking energy: -63.874
Base-Backbone interact. energy: -0.954
local terms energy: -75.533809
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -18.952
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -20.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -177.545306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.545306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.545306 (E_RNA)
where:
Base-Base interactions energy: -126.037
where: short stacking energy: -43.449
Base-Backbone interact. energy: -0.034
local terms energy: -51.474744
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -8.891
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -6.077
tors. eta vs tors. theta energy: -10.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -98.903940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.903940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.903940 (E_RNA)
where:
Base-Base interactions energy: -40.470
where: short stacking energy: -35.212
Base-Backbone interact. energy: -0.022
local terms energy: -58.412221
where:
bonds (distance) C4'-P energy: -9.705
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -7.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -158.421770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.421770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.421770 (E_RNA)
where:
Base-Base interactions energy: -101.090
where: short stacking energy: -40.656
Base-Backbone interact. energy: -0.037
local terms energy: -57.294189
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -10.342
flat angles P-C4'-P energy: -4.076
tors. eta vs tors. theta energy: -10.738
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: 1
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -79.466943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.466943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.466943 (E_RNA)
where:
Base-Base interactions energy: -26.415
where: short stacking energy: -23.114
Base-Backbone interact. energy: 1.047
local terms energy: -54.099634
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -5.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -86.234139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.234139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.234139 (E_RNA)
where:
Base-Base interactions energy: -32.136
where: short stacking energy: -29.579
Base-Backbone interact. energy: -0.047
local terms energy: -54.050354
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -10.414
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: 10, replica: 6
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -81.127491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.127491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.127491 (E_RNA)
where:
Base-Base interactions energy: -26.678
where: short stacking energy: -26.678
Base-Backbone interact. energy: 0.468
local terms energy: -54.917416
where:
bonds (distance) C4'-P energy: -11.533
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -5.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -230.198485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.198485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.198485 (E_RNA)
where:
Base-Base interactions energy: -152.415
where: short stacking energy: -72.066
Base-Backbone interact. energy: -0.001
local terms energy: -77.782157
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -19.831
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: 4
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -222.733498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.733498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.733498 (E_RNA)
where:
Base-Base interactions energy: -143.343
where: short stacking energy: -65.063
Base-Backbone interact. energy: -0.071
local terms energy: -79.320010
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -21.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -211.532598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.532598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.532598 (E_RNA)
where:
Base-Base interactions energy: -138.567
where: short stacking energy: -64.341
Base-Backbone interact. energy: -0.005
local terms energy: -72.960421
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -19.278
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: 4, replica: 3
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -193.121375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.121375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.121375 (E_RNA)
where:
Base-Base interactions energy: -134.264
where: short stacking energy: -54.736
Base-Backbone interact. energy: -0.041
local terms energy: -58.816989
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -5.464
tors. eta vs tors. theta energy: -17.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -181.891211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.891211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.891211 (E_RNA)
where:
Base-Base interactions energy: -122.799
where: short stacking energy: -41.950
Base-Backbone interact. energy: -1.357
local terms energy: -57.734917
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -7.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -117.255705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.255705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.255705 (E_RNA)
where:
Base-Base interactions energy: -61.724
where: short stacking energy: -32.231
Base-Backbone interact. energy: -0.382
local terms energy: -55.149670
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -8.523
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -5.694
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: 7, replica: 5
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -179.231147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.231147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.231147 (E_RNA)
where:
Base-Base interactions energy: -119.817
where: short stacking energy: -54.302
Base-Backbone interact. energy: 0.001
local terms energy: -59.414935
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -9.075
flat angles C4'-P-C4' energy: -10.549
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -14.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -87.741704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.741704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.741704 (E_RNA)
where:
Base-Base interactions energy: -39.264
where: short stacking energy: -31.082
Base-Backbone interact. energy: -0.489
local terms energy: -47.988495
where:
bonds (distance) C4'-P energy: -9.448
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -2.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -78.572065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.572065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.572065 (E_RNA)
where:
Base-Base interactions energy: -41.264
where: short stacking energy: -24.222
Base-Backbone interact. energy: -0.913
local terms energy: -36.395269
where:
bonds (distance) C4'-P energy: -9.112
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -6.796
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: -2.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -80.285543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.285543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.285543 (E_RNA)
where:
Base-Base interactions energy: -27.462
where: short stacking energy: -24.097
Base-Backbone interact. energy: 0.641
local terms energy: -53.465252
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -9.800
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -3.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -227.007563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.007563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.007563 (E_RNA)
where:
Base-Base interactions energy: -152.749
where: short stacking energy: -64.485
Base-Backbone interact. energy: -0.176
local terms energy: -74.082011
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -16.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -214.295505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.295505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.295505 (E_RNA)
where:
Base-Base interactions energy: -145.761
where: short stacking energy: -63.350
Base-Backbone interact. energy: -0.112
local terms energy: -68.422433
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -15.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -214.450974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.450974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.450974 (E_RNA)
where:
Base-Base interactions energy: -145.107
where: short stacking energy: -58.706
Base-Backbone interact. energy: -0.036
local terms energy: -69.308752
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -4.155
tors. eta vs tors. theta energy: -18.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -195.821071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.821071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.821071 (E_RNA)
where:
Base-Base interactions energy: -127.912
where: short stacking energy: -59.375
Base-Backbone interact. energy: -0.018
local terms energy: -67.891956
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -16.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -180.236180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.236180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.236180 (E_RNA)
where:
Base-Base interactions energy: -114.756
where: short stacking energy: -60.069
Base-Backbone interact. energy: -0.035
local terms energy: -65.445300
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -15.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -186.117825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.117825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.117825 (E_RNA)
where:
Base-Base interactions energy: -121.372
where: short stacking energy: -58.406
Base-Backbone interact. energy: -0.003
local terms energy: -64.742087
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -14.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -111.845744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.845744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.845744 (E_RNA)
where:
Base-Base interactions energy: -57.450
where: short stacking energy: -33.967
Base-Backbone interact. energy: -0.148
local terms energy: -54.247553
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -2.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -89.996867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.996867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.996867 (E_RNA)
where:
Base-Base interactions energy: -38.869
where: short stacking energy: -36.025
Base-Backbone interact. energy: -0.319
local terms energy: -50.809624
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -8.556
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -5.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -97.617583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.617583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.617583 (E_RNA)
where:
Base-Base interactions energy: -41.658
where: short stacking energy: -41.658
Base-Backbone interact. energy: 1.672
local terms energy: -57.631712
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -5.510
tors. eta vs tors. theta energy: -12.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -80.453278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.453278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.453278 (E_RNA)
where:
Base-Base interactions energy: -21.140
where: short stacking energy: -20.255
Base-Backbone interact. energy: -0.160
local terms energy: -59.153446
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -4.380
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: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -231.284739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.284739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.284739 (E_RNA)
where:
Base-Base interactions energy: -153.483
where: short stacking energy: -69.162
Base-Backbone interact. energy: -0.126
local terms energy: -77.676012
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -20.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -219.958409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.958409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.958409 (E_RNA)
where:
Base-Base interactions energy: -142.325
where: short stacking energy: -60.991
Base-Backbone interact. energy: -0.300
local terms energy: -77.333669
where:
bonds (distance) C4'-P energy: -18.304
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -20.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -221.662445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.662445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.662445 (E_RNA)
where:
Base-Base interactions energy: -147.232
where: short stacking energy: -69.063
Base-Backbone interact. energy: -0.138
local terms energy: -74.292394
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -13.006
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: -19.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -192.749207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.749207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.749207 (E_RNA)
where:
Base-Base interactions energy: -129.648
where: short stacking energy: -64.791
Base-Backbone interact. energy: -0.001
local terms energy: -63.099759
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -10.590
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -17.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -198.686314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.686314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.686314 (E_RNA)
where:
Base-Base interactions energy: -127.156
where: short stacking energy: -53.281
Base-Backbone interact. energy: -0.011
local terms energy: -71.519520
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -16.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -180.916413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.916413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.916413 (E_RNA)
where:
Base-Base interactions energy: -119.556
where: short stacking energy: -46.689
Base-Backbone interact. energy: -0.314
local terms energy: -61.046325
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -10.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -117.707616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.707616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.707616 (E_RNA)
where:
Base-Base interactions energy: -67.400
where: short stacking energy: -31.018
Base-Backbone interact. energy: -0.277
local terms energy: -50.030806
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -10.610
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -4.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -83.678533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.678533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.678533 (E_RNA)
where:
Base-Base interactions energy: -41.405
where: short stacking energy: -18.348
Base-Backbone interact. energy: -0.287
local terms energy: -41.986194
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -4.003
tors. eta vs tors. theta energy: 2.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -83.100951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.100951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.100951 (E_RNA)
where:
Base-Base interactions energy: -27.288
where: short stacking energy: -26.903
Base-Backbone interact. energy: -0.021
local terms energy: -55.791668
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -10.685
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -8.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -72.474910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.474910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.474910 (E_RNA)
where:
Base-Base interactions energy: -40.466
where: short stacking energy: -19.510
Base-Backbone interact. energy: 2.366
local terms energy: -34.375053
where:
bonds (distance) C4'-P energy: -5.023
bonds (distance) P-C4' energy: -7.788
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -5.533
tors. eta vs tors. theta energy: -2.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -228.304005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.304005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.304005 (E_RNA)
where:
Base-Base interactions energy: -150.271
where: short stacking energy: -67.739
Base-Backbone interact. energy: -0.120
local terms energy: -77.912576
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -21.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -216.908908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.908908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.908908 (E_RNA)
where:
Base-Base interactions energy: -138.831
where: short stacking energy: -62.221
Base-Backbone interact. energy: -0.013
local terms energy: -78.064593
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -21.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -217.326971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.326971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.326971 (E_RNA)
where:
Base-Base interactions energy: -141.327
where: short stacking energy: -72.382
Base-Backbone interact. energy: -0.001
local terms energy: -75.998369
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -20.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -205.317618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.317618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.317618 (E_RNA)
where:
Base-Base interactions energy: -138.060
where: short stacking energy: -68.448
Base-Backbone interact. energy: -0.099
local terms energy: -67.158095
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -5.207
tors. eta vs tors. theta energy: -21.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -204.392290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.392290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.392290 (E_RNA)
where:
Base-Base interactions energy: -136.535
where: short stacking energy: -62.441
Base-Backbone interact. energy: -0.250
local terms energy: -67.607634
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -13.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -171.831683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.831683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.831683 (E_RNA)
where:
Base-Base interactions energy: -107.003
where: short stacking energy: -49.724
Base-Backbone interact. energy: 3.107
local terms energy: -67.935709
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -12.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -99.653947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.653947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.653947 (E_RNA)
where:
Base-Base interactions energy: -47.607
where: short stacking energy: -35.829
Base-Backbone interact. energy: 0.568
local terms energy: -52.615545
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -6.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -85.623025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.623025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.623025 (E_RNA)
where:
Base-Base interactions energy: -28.513
where: short stacking energy: -27.352
Base-Backbone interact. energy: -0.362
local terms energy: -56.747449
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -4.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -83.490925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.490925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.490925 (E_RNA)
where:
Base-Base interactions energy: -41.418
where: short stacking energy: -28.852
Base-Backbone interact. energy: -0.817
local terms energy: -41.256195
where:
bonds (distance) C4'-P energy: -7.169
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -9.798
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -2.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -74.127854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.127854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.127854 (E_RNA)
where:
Base-Base interactions energy: -33.560
where: short stacking energy: -31.284
Base-Backbone interact. energy: 4.352
local terms energy: -44.919360
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -9.793
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -1.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -220.042482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.042482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.042482 (E_RNA)
where:
Base-Base interactions energy: -149.411
where: short stacking energy: -69.398
Base-Backbone interact. energy: -0.070
local terms energy: -70.561449
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -17.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -221.067575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.067575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.067575 (E_RNA)
where:
Base-Base interactions energy: -146.353
where: short stacking energy: -66.288
Base-Backbone interact. energy: -0.121
local terms energy: -74.593541
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -19.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -218.052588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.052588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.052588 (E_RNA)
where:
Base-Base interactions energy: -147.121
where: short stacking energy: -64.543
Base-Backbone interact. energy: -0.000
local terms energy: -70.931446
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -11.354
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -19.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -204.961007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.961007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.961007 (E_RNA)
where:
Base-Base interactions energy: -135.760
where: short stacking energy: -66.911
Base-Backbone interact. energy: -0.037
local terms energy: -69.164545
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -19.152
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: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -211.119009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.119009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.119009 (E_RNA)
where:
Base-Base interactions energy: -137.323
where: short stacking energy: -63.793
Base-Backbone interact. energy: -0.001
local terms energy: -73.794701
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -19.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -164.838997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.838997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.838997 (E_RNA)
where:
Base-Base interactions energy: -103.210
where: short stacking energy: -52.425
Base-Backbone interact. energy: -0.091
local terms energy: -61.537633
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -9.284
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -14.991
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: 1
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -89.296658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.296658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.296658 (E_RNA)
where:
Base-Base interactions energy: -32.832
where: short stacking energy: -27.675
Base-Backbone interact. energy: -0.048
local terms energy: -56.417042
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -4.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -82.345189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.345189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.345189 (E_RNA)
where:
Base-Base interactions energy: -37.738
where: short stacking energy: -33.968
Base-Backbone interact. energy: 0.250
local terms energy: -44.858100
where:
bonds (distance) C4'-P energy: -9.680
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -9.518
flat angles P-C4'-P energy: -6.386
tors. eta vs tors. theta energy: -4.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -86.195645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.195645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.195645 (E_RNA)
where:
Base-Base interactions energy: -33.400
where: short stacking energy: -25.744
Base-Backbone interact. energy: -0.191
local terms energy: -52.604203
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -13.242
flat angles C4'-P-C4' energy: -9.306
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -6.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -97.780073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.780073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.780073 (E_RNA)
where:
Base-Base interactions energy: -40.676
where: short stacking energy: -33.840
Base-Backbone interact. energy: -0.139
local terms energy: -56.965241
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -10.814
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -9.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -226.070412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.070412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.070412 (E_RNA)
where:
Base-Base interactions energy: -150.138
where: short stacking energy: -67.880
Base-Backbone interact. energy: -0.127
local terms energy: -75.805602
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -19.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -215.707381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.707381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.707381 (E_RNA)
where:
Base-Base interactions energy: -142.165
where: short stacking energy: -67.776
Base-Backbone interact. energy: -0.000
local terms energy: -73.542216
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -17.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -211.506789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.506789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.506789 (E_RNA)
where:
Base-Base interactions energy: -139.061
where: short stacking energy: -61.091
Base-Backbone interact. energy: -0.120
local terms energy: -72.325345
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -13.925
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -14.082
tors. eta vs tors. theta energy: -16.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -210.615814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.615814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.615814 (E_RNA)
where:
Base-Base interactions energy: -138.911
where: short stacking energy: -59.696
Base-Backbone interact. energy: -0.074
local terms energy: -71.630538
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -16.504
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: 4
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -205.326026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.326026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.326026 (E_RNA)
where:
Base-Base interactions energy: -132.239
where: short stacking energy: -56.298
Base-Backbone interact. energy: -0.061
local terms energy: -73.025666
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -17.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -192.861125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.861125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.861125 (E_RNA)
where:
Base-Base interactions energy: -129.259
where: short stacking energy: -63.793
Base-Backbone interact. energy: -0.233
local terms energy: -63.369275
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -14.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -92.851633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.851633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.851633 (E_RNA)
where:
Base-Base interactions energy: -34.457
where: short stacking energy: -33.789
Base-Backbone interact. energy: -0.168
local terms energy: -58.227217
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -8.932
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -7.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -87.120940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.120940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.120940 (E_RNA)
where:
Base-Base interactions energy: -37.754
where: short stacking energy: -28.738
Base-Backbone interact. energy: -0.953
local terms energy: -48.413475
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -3.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -75.993426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.993426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.993426 (E_RNA)
where:
Base-Base interactions energy: -28.883
where: short stacking energy: -24.845
Base-Backbone interact. energy: -0.137
local terms energy: -46.972944
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -4.656
tors. eta vs tors. theta energy: -2.938
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: 345
Temperature: 1.350000
Total energy: -77.065551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.065551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.065551 (E_RNA)
where:
Base-Base interactions energy: -22.938
where: short stacking energy: -19.797
Base-Backbone interact. energy: 0.445
local terms energy: -54.571577
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -1.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -223.664474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.664474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.664474 (E_RNA)
where:
Base-Base interactions energy: -147.000
where: short stacking energy: -65.562
Base-Backbone interact. energy: -0.044
local terms energy: -76.619763
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -19.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -216.455503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.455503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.455503 (E_RNA)
where:
Base-Base interactions energy: -144.210
where: short stacking energy: -52.498
Base-Backbone interact. energy: -0.104
local terms energy: -72.141575
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -17.187
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: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -218.477092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.477092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.477092 (E_RNA)
where:
Base-Base interactions energy: -144.337
where: short stacking energy: -68.766
Base-Backbone interact. energy: -0.061
local terms energy: -74.079095
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -17.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -200.975173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.975173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.975173 (E_RNA)
where:
Base-Base interactions energy: -128.164
where: short stacking energy: -63.687
Base-Backbone interact. energy: -0.010
local terms energy: -72.801261
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -19.514
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: 7
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -173.379932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.379932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.379932 (E_RNA)
where:
Base-Base interactions energy: -105.733
where: short stacking energy: -50.956
Base-Backbone interact. energy: 0.280
local terms energy: -67.926759
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -11.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -202.057680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.057680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.057680 (E_RNA)
where:
Base-Base interactions energy: -138.489
where: short stacking energy: -57.265
Base-Backbone interact. energy: -0.072
local terms energy: -63.497100
where:
bonds (distance) C4'-P energy: -8.659
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -17.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -96.249032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.249032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.249032 (E_RNA)
where:
Base-Base interactions energy: -38.156
where: short stacking energy: -30.797
Base-Backbone interact. energy: -0.315
local terms energy: -57.777888
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -7.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -95.652370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.652370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.652370 (E_RNA)
where:
Base-Base interactions energy: -42.560
where: short stacking energy: -41.103
Base-Backbone interact. energy: -0.087
local terms energy: -53.004857
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -10.678
flat angles P-C4'-P energy: -5.541
tors. eta vs tors. theta energy: -10.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -81.306872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.306872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.306872 (E_RNA)
where:
Base-Base interactions energy: -27.433
where: short stacking energy: -23.977
Base-Backbone interact. energy: -1.039
local terms energy: -52.834292
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -3.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -76.340820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.340820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.340820 (E_RNA)
where:
Base-Base interactions energy: -36.323
where: short stacking energy: -19.554
Base-Backbone interact. energy: -0.302
local terms energy: -39.715610
where:
bonds (distance) C4'-P energy: -9.371
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -2.984
tors. eta vs tors. theta energy: -0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -229.988540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.988540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.988540 (E_RNA)
where:
Base-Base interactions energy: -151.684
where: short stacking energy: -63.314
Base-Backbone interact. energy: -0.006
local terms energy: -78.297826
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -19.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -221.007195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.007195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.007195 (E_RNA)
where:
Base-Base interactions energy: -151.217
where: short stacking energy: -65.156
Base-Backbone interact. energy: -0.143
local terms energy: -69.647449
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -18.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -222.455296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.455296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.455296 (E_RNA)
where:
Base-Base interactions energy: -145.703
where: short stacking energy: -73.073
Base-Backbone interact. energy: -0.006
local terms energy: -76.746888
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -21.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -214.094167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.094167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.094167 (E_RNA)
where:
Base-Base interactions energy: -144.759
where: short stacking energy: -69.040
Base-Backbone interact. energy: -0.015
local terms energy: -69.319986
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -20.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -199.275756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.275756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.275756 (E_RNA)
where:
Base-Base interactions energy: -137.168
where: short stacking energy: -55.862
Base-Backbone interact. energy: -0.100
local terms energy: -62.008013
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -4.461
tors. eta vs tors. theta energy: -15.792
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: 4
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -196.767139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.767139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.767139 (E_RNA)
where:
Base-Base interactions energy: -136.244
where: short stacking energy: -64.936
Base-Backbone interact. energy: -0.121
local terms energy: -60.402154
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -3.068
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -20.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -90.779751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.779751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.779751 (E_RNA)
where:
Base-Base interactions energy: -31.148
where: short stacking energy: -28.735
Base-Backbone interact. energy: -0.026
local terms energy: -59.606027
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -7.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -83.145483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.145483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.145483 (E_RNA)
where:
Base-Base interactions energy: -36.870
where: short stacking energy: -23.816
Base-Backbone interact. energy: 1.372
local terms energy: -47.647058
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: 0.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -76.794792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.794792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.794792 (E_RNA)
where:
Base-Base interactions energy: -29.512
where: short stacking energy: -29.512
Base-Backbone interact. energy: -0.262
local terms energy: -47.020561
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -11.104
flat angles C4'-P-C4' energy: -9.368
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: -5.878
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: 347
Temperature: 1.350000
Total energy: -98.299511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.299511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.299511 (E_RNA)
where:
Base-Base interactions energy: -46.336
where: short stacking energy: -16.578
Base-Backbone interact. energy: -0.475
local terms energy: -51.488432
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -4.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -215.838623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.838623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.838623 (E_RNA)
where:
Base-Base interactions energy: -138.879
where: short stacking energy: -66.927
Base-Backbone interact. energy: -0.005
local terms energy: -76.954564
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -21.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -225.707934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.707934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.707934 (E_RNA)
where:
Base-Base interactions energy: -147.106
where: short stacking energy: -62.508
Base-Backbone interact. energy: -0.005
local terms energy: -78.597689
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -19.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -208.111026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.111026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.111026 (E_RNA)
where:
Base-Base interactions energy: -136.531
where: short stacking energy: -63.370
Base-Backbone interact. energy: -0.023
local terms energy: -71.556585
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -15.716
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: 10
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -193.677021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.677021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.677021 (E_RNA)
where:
Base-Base interactions energy: -128.866
where: short stacking energy: -63.297
Base-Backbone interact. energy: -0.002
local terms energy: -64.808623
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -16.385
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: 5, replica: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -205.714450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.714450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.714450 (E_RNA)
where:
Base-Base interactions energy: -129.745
where: short stacking energy: -64.922
Base-Backbone interact. energy: -0.335
local terms energy: -75.635271
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -23.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -191.514109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.514109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.514109 (E_RNA)
where:
Base-Base interactions energy: -122.003
where: short stacking energy: -57.859
Base-Backbone interact. energy: -0.105
local terms energy: -69.405695
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -9.731
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -16.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -91.584869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.584869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.584869 (E_RNA)
where:
Base-Base interactions energy: -34.972
where: short stacking energy: -26.536
Base-Backbone interact. energy: -0.035
local terms energy: -56.578278
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -1.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -79.242619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.242619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.242619 (E_RNA)
where:
Base-Base interactions energy: -27.812
where: short stacking energy: -27.812
Base-Backbone interact. energy: -1.084
local terms energy: -50.346114
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -0.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -73.647547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.647547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.647547 (E_RNA)
where:
Base-Base interactions energy: -24.924
where: short stacking energy: -22.423
Base-Backbone interact. energy: -0.265
local terms energy: -48.457981
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -9.554
flat angles P-C4'-P energy: -6.115
tors. eta vs tors. theta energy: -7.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -76.567548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.567548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.567548 (E_RNA)
where:
Base-Base interactions energy: -25.685
where: short stacking energy: -25.269
Base-Backbone interact. energy: -0.016
local terms energy: -50.866090
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: -3.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -224.028183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.028183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.028183 (E_RNA)
where:
Base-Base interactions energy: -142.287
where: short stacking energy: -69.598
Base-Backbone interact. energy: 0.251
local terms energy: -81.992779
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -21.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -222.981055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.981055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.981055 (E_RNA)
where:
Base-Base interactions energy: -148.891
where: short stacking energy: -72.358
Base-Backbone interact. energy: -0.002
local terms energy: -74.087361
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -18.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -216.035153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.035153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.035153 (E_RNA)
where:
Base-Base interactions energy: -148.156
where: short stacking energy: -65.800
Base-Backbone interact. energy: -0.028
local terms energy: -67.851309
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -15.902
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: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -207.888972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.888972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.888972 (E_RNA)
where:
Base-Base interactions energy: -129.006
where: short stacking energy: -59.640
Base-Backbone interact. energy: -0.035
local terms energy: -78.848687
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -19.746
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: 10
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -202.127486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.127486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.127486 (E_RNA)
where:
Base-Base interactions energy: -131.264
where: short stacking energy: -69.720
Base-Backbone interact. energy: -0.001
local terms energy: -70.863009
where:
bonds (distance) C4'-P energy: -9.126
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -21.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -189.362236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.362236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.362236 (E_RNA)
where:
Base-Base interactions energy: -121.469
where: short stacking energy: -67.280
Base-Backbone interact. energy: -0.001
local terms energy: -67.892867
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -20.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -85.059560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.059560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.059560 (E_RNA)
where:
Base-Base interactions energy: -32.407
where: short stacking energy: -31.757
Base-Backbone interact. energy: 3.465
local terms energy: -56.118149
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -6.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -81.382965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.382965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.382965 (E_RNA)
where:
Base-Base interactions energy: -30.217
where: short stacking energy: -27.965
Base-Backbone interact. energy: -0.686
local terms energy: -50.479514
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -5.405
tors. eta vs tors. theta energy: -5.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -75.948590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.948590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.948590 (E_RNA)
where:
Base-Base interactions energy: -35.046
where: short stacking energy: -31.163
Base-Backbone interact. energy: -0.022
local terms energy: -40.881198
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -5.472
tors. eta vs tors. theta energy: 2.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -70.385245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.385245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.385245 (E_RNA)
where:
Base-Base interactions energy: -22.536
where: short stacking energy: -21.101
Base-Backbone interact. energy: -0.023
local terms energy: -47.826879
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -6.111
tors. eta vs tors. theta energy: 2.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -229.644660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.644660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.644660 (E_RNA)
where:
Base-Base interactions energy: -151.729
where: short stacking energy: -68.862
Base-Backbone interact. energy: -0.006
local terms energy: -77.910345
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -21.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -214.436681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.436681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.436681 (E_RNA)
where:
Base-Base interactions energy: -141.980
where: short stacking energy: -62.025
Base-Backbone interact. energy: -0.203
local terms energy: -72.254074
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -17.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -212.211634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.211634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.211634 (E_RNA)
where:
Base-Base interactions energy: -140.367
where: short stacking energy: -59.950
Base-Backbone interact. energy: 0.332
local terms energy: -72.177039
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -14.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -213.388005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.388005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.388005 (E_RNA)
where:
Base-Base interactions energy: -141.598
where: short stacking energy: -62.854
Base-Backbone interact. energy: 0.031
local terms energy: -71.821024
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -17.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -184.124638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.124638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.124638 (E_RNA)
where:
Base-Base interactions energy: -117.487
where: short stacking energy: -50.106
Base-Backbone interact. energy: -0.186
local terms energy: -66.451677
where:
bonds (distance) C4'-P energy: -9.504
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -15.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -156.643812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.643812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.643812 (E_RNA)
where:
Base-Base interactions energy: -98.493
where: short stacking energy: -45.709
Base-Backbone interact. energy: 0.122
local terms energy: -58.272633
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -10.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -93.120071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.120071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.120071 (E_RNA)
where:
Base-Base interactions energy: -37.716
where: short stacking energy: -37.716
Base-Backbone interact. energy: -0.170
local terms energy: -55.234436
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -6.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -103.612318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.612318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.612318 (E_RNA)
where:
Base-Base interactions energy: -57.090
where: short stacking energy: -37.167
Base-Backbone interact. energy: 0.398
local terms energy: -46.920533
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -10.300
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -2.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -78.551967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.551967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.551967 (E_RNA)
where:
Base-Base interactions energy: -34.156
where: short stacking energy: -22.203
Base-Backbone interact. energy: -1.429
local terms energy: -42.966429
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -2.948
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: 0.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -71.443119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.443119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.443119 (E_RNA)
where:
Base-Base interactions energy: -28.244
where: short stacking energy: -24.590
Base-Backbone interact. energy: -0.131
local terms energy: -43.067781
where:
bonds (distance) C4'-P energy: -8.286
bonds (distance) P-C4' energy: -13.428
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: 0.630
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: 1, replica: 5
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -222.134399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.134399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.134399 (E_RNA)
where:
Base-Base interactions energy: -144.431
where: short stacking energy: -68.389
Base-Backbone interact. energy: -0.002
local terms energy: -77.702131
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -20.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -221.568392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.568392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.568392 (E_RNA)
where:
Base-Base interactions energy: -154.455
where: short stacking energy: -71.486
Base-Backbone interact. energy: -0.278
local terms energy: -66.835758
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -20.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -197.751785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.751785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.751785 (E_RNA)
where:
Base-Base interactions energy: -125.111
where: short stacking energy: -57.981
Base-Backbone interact. energy: -0.139
local terms energy: -72.501684
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -14.514
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: 4, replica: 2
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -209.771751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.771751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.771751 (E_RNA)
where:
Base-Base interactions energy: -133.197
where: short stacking energy: -62.732
Base-Backbone interact. energy: -0.399
local terms energy: -76.175868
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -22.785
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: 5, replica: 7
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -178.062982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.062982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.062982 (E_RNA)
where:
Base-Base interactions energy: -113.998
where: short stacking energy: -56.910
Base-Backbone interact. energy: 1.298
local terms energy: -65.363581
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -12.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -151.342938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.342938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.342938 (E_RNA)
where:
Base-Base interactions energy: -91.592
where: short stacking energy: -47.591
Base-Backbone interact. energy: -0.222
local terms energy: -59.528750
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -8.689
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: 1
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -85.765932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.765932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.765932 (E_RNA)
where:
Base-Base interactions energy: -28.863
where: short stacking energy: -28.863
Base-Backbone interact. energy: -0.382
local terms energy: -56.520580
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -7.229
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: 8, replica: 9
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -87.833990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.833990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.833990 (E_RNA)
where:
Base-Base interactions energy: -41.534
where: short stacking energy: -40.929
Base-Backbone interact. energy: -0.068
local terms energy: -46.231977
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -10.317
flat angles C4'-P-C4' energy: -11.273
flat angles P-C4'-P energy: -5.194
tors. eta vs tors. theta energy: -6.940
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: 9, replica: 8
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -81.372447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.372447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.372447 (E_RNA)
where:
Base-Base interactions energy: -35.111
where: short stacking energy: -24.804
Base-Backbone interact. energy: -0.265
local terms energy: -45.996426
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -3.097
tors. eta vs tors. theta energy: 0.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -80.285652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.285652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.285652 (E_RNA)
where:
Base-Base interactions energy: -30.481
where: short stacking energy: -26.950
Base-Backbone interact. energy: -0.281
local terms energy: -49.523211
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -10.524
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: 0.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -223.024721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.024721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.024721 (E_RNA)
where:
Base-Base interactions energy: -145.302
where: short stacking energy: -59.980
Base-Backbone interact. energy: -0.039
local terms energy: -77.683781
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -17.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -224.338896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.338896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.338896 (E_RNA)
where:
Base-Base interactions energy: -151.815
where: short stacking energy: -70.020
Base-Backbone interact. energy: -0.090
local terms energy: -72.433933
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -21.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -221.775088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.775088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.775088 (E_RNA)
where:
Base-Base interactions energy: -150.873
where: short stacking energy: -65.659
Base-Backbone interact. energy: -0.047
local terms energy: -70.855005
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -20.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -218.036023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.036023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.036023 (E_RNA)
where:
Base-Base interactions energy: -149.157
where: short stacking energy: -59.455
Base-Backbone interact. energy: -0.097
local terms energy: -68.781363
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -14.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -173.355099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.355099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.355099 (E_RNA)
where:
Base-Base interactions energy: -113.349
where: short stacking energy: -42.661
Base-Backbone interact. energy: -0.120
local terms energy: -59.886641
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -12.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -180.341210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.341210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.341210 (E_RNA)
where:
Base-Base interactions energy: -116.218
where: short stacking energy: -47.094
Base-Backbone interact. energy: -0.086
local terms energy: -64.036963
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -13.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -94.152075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.152075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.152075 (E_RNA)
where:
Base-Base interactions energy: -50.385
where: short stacking energy: -29.262
Base-Backbone interact. energy: -0.105
local terms energy: -43.662397
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -9.876
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -4.862
tors. eta vs tors. theta energy: -0.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -88.081425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.081425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.081425 (E_RNA)
where:
Base-Base interactions energy: -50.443
where: short stacking energy: -39.655
Base-Backbone interact. energy: -0.033
local terms energy: -37.605584
where:
bonds (distance) C4'-P energy: -7.946
bonds (distance) P-C4' energy: -7.881
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -6.252
tors. eta vs tors. theta energy: -2.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -97.320076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.320076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.320076 (E_RNA)
where:
Base-Base interactions energy: -59.564
where: short stacking energy: -39.267
Base-Backbone interact. energy: -0.132
local terms energy: -37.623721
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: 2.023
tors. eta vs tors. theta energy: -5.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -80.320324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.320324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.320324 (E_RNA)
where:
Base-Base interactions energy: -46.490
where: short stacking energy: -28.870
Base-Backbone interact. energy: 1.350
local terms energy: -35.179984
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -7.402
flat angles P-C4'-P energy: -2.850
tors. eta vs tors. theta energy: -0.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -222.120909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.120909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.120909 (E_RNA)
where:
Base-Base interactions energy: -141.323
where: short stacking energy: -72.600
Base-Backbone interact. energy: -0.001
local terms energy: -80.796940
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -22.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -219.050980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.050980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.050980 (E_RNA)
where:
Base-Base interactions energy: -144.200
where: short stacking energy: -69.303
Base-Backbone interact. energy: -0.053
local terms energy: -74.797329
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -22.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -214.352275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.352275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.352275 (E_RNA)
where:
Base-Base interactions energy: -148.956
where: short stacking energy: -64.943
Base-Backbone interact. energy: 0.325
local terms energy: -65.721775
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: -19.367
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: 4, replica: 4
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -213.173420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.173420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.173420 (E_RNA)
where:
Base-Base interactions energy: -137.974
where: short stacking energy: -66.121
Base-Backbone interact. energy: -0.003
local terms energy: -75.196570
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -20.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -172.746052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.746052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.746052 (E_RNA)
where:
Base-Base interactions energy: -106.140
where: short stacking energy: -43.954
Base-Backbone interact. energy: -0.864
local terms energy: -65.742062
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -9.900
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: 7
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -196.955634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.955634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.955634 (E_RNA)
where:
Base-Base interactions energy: -120.934
where: short stacking energy: -58.282
Base-Backbone interact. energy: -0.009
local terms energy: -76.013182
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -18.642
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -21.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -92.983864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.983864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.983864 (E_RNA)
where:
Base-Base interactions energy: -40.494
where: short stacking energy: -25.025
Base-Backbone interact. energy: -0.264
local terms energy: -52.225437
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -1.785
tors. eta vs tors. theta energy: -5.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -80.869655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.869655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.869655 (E_RNA)
where:
Base-Base interactions energy: -30.234
where: short stacking energy: -30.198
Base-Backbone interact. energy: -0.227
local terms energy: -50.408310
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -8.481
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -4.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -100.578269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.578269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.578269 (E_RNA)
where:
Base-Base interactions energy: -40.787
where: short stacking energy: -24.125
Base-Backbone interact. energy: -0.001
local terms energy: -59.790203
where:
bonds (distance) C4'-P energy: -14.254
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -9.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -71.039101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.039101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.039101 (E_RNA)
where:
Base-Base interactions energy: -21.575
where: short stacking energy: -20.614
Base-Backbone interact. energy: -0.253
local terms energy: -49.210866
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -9.680
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -4.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -222.276936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.276936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.276936 (E_RNA)
where:
Base-Base interactions energy: -146.612
where: short stacking energy: -67.538
Base-Backbone interact. energy: -0.074
local terms energy: -75.591474
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -13.950
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -6.340
tors. eta vs tors. theta energy: -21.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -225.078629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.078629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.078629 (E_RNA)
where:
Base-Base interactions energy: -144.311
where: short stacking energy: -66.034
Base-Backbone interact. energy: -0.003
local terms energy: -80.764759
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -18.991
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: 3, replica: 4
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -219.443407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.443407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.443407 (E_RNA)
where:
Base-Base interactions energy: -140.523
where: short stacking energy: -71.659
Base-Backbone interact. energy: -0.001
local terms energy: -78.919217
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -22.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -208.416559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.416559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.416559 (E_RNA)
where:
Base-Base interactions energy: -136.313
where: short stacking energy: -60.682
Base-Backbone interact. energy: -0.094
local terms energy: -72.009398
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -19.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -173.148084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.148084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.148084 (E_RNA)
where:
Base-Base interactions energy: -108.664
where: short stacking energy: -58.467
Base-Backbone interact. energy: -0.003
local terms energy: -64.480681
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -6.698
tors. eta vs tors. theta energy: -13.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -180.818469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.818469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.818469 (E_RNA)
where:
Base-Base interactions energy: -121.663
where: short stacking energy: -52.860
Base-Backbone interact. energy: -0.682
local terms energy: -58.473835
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -12.053
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: 6
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -93.943547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.943547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.943547 (E_RNA)
where:
Base-Base interactions energy: -40.425
where: short stacking energy: -29.339
Base-Backbone interact. energy: -0.162
local terms energy: -53.356251
where:
bonds (distance) C4'-P energy: -7.586
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -7.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -81.788606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.788606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.788606 (E_RNA)
where:
Base-Base interactions energy: -39.758
where: short stacking energy: -25.589
Base-Backbone interact. energy: -0.380
local terms energy: -41.650542
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -11.037
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -5.752
tors. eta vs tors. theta energy: 4.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -74.361202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.361202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.361202 (E_RNA)
where:
Base-Base interactions energy: -30.156
where: short stacking energy: -23.501
Base-Backbone interact. energy: -0.664
local terms energy: -43.541531
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -9.777
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -5.560
tors. eta vs tors. theta energy: -0.361
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: 354
Temperature: 1.350000
Total energy: -81.351213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.351213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.351213 (E_RNA)
where:
Base-Base interactions energy: -29.245
where: short stacking energy: -27.437
Base-Backbone interact. energy: -0.181
local terms energy: -51.925018
where:
bonds (distance) C4'-P energy: -9.586
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -10.933
flat angles P-C4'-P energy: -4.037
tors. eta vs tors. theta energy: -11.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -231.293961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.293961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.293961 (E_RNA)
where:
Base-Base interactions energy: -152.426
where: short stacking energy: -68.588
Base-Backbone interact. energy: -0.001
local terms energy: -78.866863
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -22.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -223.451762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.451762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.451762 (E_RNA)
where:
Base-Base interactions energy: -151.661
where: short stacking energy: -58.454
Base-Backbone interact. energy: -0.101
local terms energy: -71.688952
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -12.660
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -21.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -211.155062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.155062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.155062 (E_RNA)
where:
Base-Base interactions energy: -142.949
where: short stacking energy: -67.836
Base-Backbone interact. energy: -1.355
local terms energy: -66.850248
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -17.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -194.720483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.720483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.720483 (E_RNA)
where:
Base-Base interactions energy: -126.879
where: short stacking energy: -64.805
Base-Backbone interact. energy: -0.004
local terms energy: -67.836965
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: -16.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -166.263537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.263537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.263537 (E_RNA)
where:
Base-Base interactions energy: -102.556
where: short stacking energy: -42.993
Base-Backbone interact. energy: -0.135
local terms energy: -63.572137
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -11.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -173.936495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.936495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.936495 (E_RNA)
where:
Base-Base interactions energy: -111.473
where: short stacking energy: -54.485
Base-Backbone interact. energy: -0.102
local terms energy: -62.362036
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -10.654
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -17.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -96.158340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.158340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.158340 (E_RNA)
where:
Base-Base interactions energy: -47.100
where: short stacking energy: -25.515
Base-Backbone interact. energy: -0.332
local terms energy: -48.726686
where:
bonds (distance) C4'-P energy: -7.182
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -9.796
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: 8, replica: 8
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -87.241843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.241843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.241843 (E_RNA)
where:
Base-Base interactions energy: -31.954
where: short stacking energy: -31.610
Base-Backbone interact. energy: -0.270
local terms energy: -55.017769
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -6.271
tors. eta vs tors. theta energy: -5.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -89.928410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.928410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.928410 (E_RNA)
where:
Base-Base interactions energy: -43.917
where: short stacking energy: -32.682
Base-Backbone interact. energy: -0.167
local terms energy: -45.843638
where:
bonds (distance) C4'-P energy: -7.694
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -1.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -65.791588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.791588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.791588 (E_RNA)
where:
Base-Base interactions energy: -20.369
where: short stacking energy: -20.369
Base-Backbone interact. energy: -0.085
local terms energy: -45.337539
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -8.168
flat angles P-C4'-P energy: -9.829
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: 5
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -218.041383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.041383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.041383 (E_RNA)
where:
Base-Base interactions energy: -143.727
where: short stacking energy: -61.786
Base-Backbone interact. energy: -0.024
local terms energy: -74.290025
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -20.801
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: 4
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -220.302440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.302440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.302440 (E_RNA)
where:
Base-Base interactions energy: -139.186
where: short stacking energy: -70.307
Base-Backbone interact. energy: -0.031
local terms energy: -81.085457
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -18.174
flat angles P-C4'-P energy: -15.068
tors. eta vs tors. theta energy: -21.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -215.139596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.139596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.139596 (E_RNA)
where:
Base-Base interactions energy: -138.261
where: short stacking energy: -67.290
Base-Backbone interact. energy: 0.022
local terms energy: -76.900374
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -22.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -190.400435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.400435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.400435 (E_RNA)
where:
Base-Base interactions energy: -122.175
where: short stacking energy: -62.107
Base-Backbone interact. energy: -0.312
local terms energy: -67.912668
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -15.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -203.323254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.323254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.323254 (E_RNA)
where:
Base-Base interactions energy: -135.440
where: short stacking energy: -65.199
Base-Backbone interact. energy: -0.149
local terms energy: -67.735221
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -19.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -189.013032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.013032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.013032 (E_RNA)
where:
Base-Base interactions energy: -128.233
where: short stacking energy: -47.756
Base-Backbone interact. energy: -0.237
local terms energy: -60.542960
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -9.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -91.171226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.171226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.171226 (E_RNA)
where:
Base-Base interactions energy: -35.789
where: short stacking energy: -26.601
Base-Backbone interact. energy: -0.927
local terms energy: -54.455032
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -6.094
tors. eta vs tors. theta energy: -3.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -105.260371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.260371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.260371 (E_RNA)
where:
Base-Base interactions energy: -56.059
where: short stacking energy: -26.282
Base-Backbone interact. energy: -0.012
local terms energy: -49.190217
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -8.500
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -5.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -88.699093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.699093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.699093 (E_RNA)
where:
Base-Base interactions energy: -38.445
where: short stacking energy: -32.039
Base-Backbone interact. energy: -0.042
local terms energy: -50.212263
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -10.991
flat angles P-C4'-P energy: -5.306
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: 1
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -78.061752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.061752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.061752 (E_RNA)
where:
Base-Base interactions energy: -32.832
where: short stacking energy: -14.901
Base-Backbone interact. energy: -0.171
local terms energy: -45.058741
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -4.085
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: 1, replica: 5
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -219.544502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.544502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.544502 (E_RNA)
where:
Base-Base interactions energy: -147.049
where: short stacking energy: -69.346
Base-Backbone interact. energy: -0.004
local terms energy: -72.492021
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -18.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -218.616010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.616010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.616010 (E_RNA)
where:
Base-Base interactions energy: -139.435
where: short stacking energy: -64.900
Base-Backbone interact. energy: -0.035
local terms energy: -79.145593
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -20.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -214.850899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.850899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.850899 (E_RNA)
where:
Base-Base interactions energy: -142.171
where: short stacking energy: -68.110
Base-Backbone interact. energy: -0.063
local terms energy: -72.616713
where:
bonds (distance) C4'-P energy: -10.459
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -22.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -219.964636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.964636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.964636 (E_RNA)
where:
Base-Base interactions energy: -144.738
where: short stacking energy: -64.386
Base-Backbone interact. energy: -0.047
local terms energy: -75.179845
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -21.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -174.081345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.081345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.081345 (E_RNA)
where:
Base-Base interactions energy: -113.355
where: short stacking energy: -51.010
Base-Backbone interact. energy: -0.179
local terms energy: -60.547647
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -13.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -188.425265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.425265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.425265 (E_RNA)
where:
Base-Base interactions energy: -123.644
where: short stacking energy: -63.003
Base-Backbone interact. energy: 0.119
local terms energy: -64.901002
where:
bonds (distance) C4'-P energy: -10.789
bonds (distance) P-C4' energy: -11.865
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -17.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -83.507235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.507235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.507235 (E_RNA)
where:
Base-Base interactions energy: -30.811
where: short stacking energy: -22.644
Base-Backbone interact. energy: 0.352
local terms energy: -53.047563
where:
bonds (distance) C4'-P energy: -9.124
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -0.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -88.554592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.554592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.554592 (E_RNA)
where:
Base-Base interactions energy: -35.058
where: short stacking energy: -26.932
Base-Backbone interact. energy: -0.692
local terms energy: -52.804960
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -3.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -86.335322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.335322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.335322 (E_RNA)
where:
Base-Base interactions energy: -40.220
where: short stacking energy: -22.116
Base-Backbone interact. energy: -1.005
local terms energy: -45.111039
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -12.153
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -1.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -80.659338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.659338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.659338 (E_RNA)
where:
Base-Base interactions energy: -28.128
where: short stacking energy: -25.013
Base-Backbone interact. energy: -1.450
local terms energy: -51.081211
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -9.078
flat angles P-C4'-P energy: -8.426
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -223.243939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.243939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.243939 (E_RNA)
where:
Base-Base interactions energy: -140.331
where: short stacking energy: -69.266
Base-Backbone interact. energy: -0.095
local terms energy: -82.817779
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -18.563
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -22.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -213.396185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.396185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.396185 (E_RNA)
where:
Base-Base interactions energy: -138.278
where: short stacking energy: -69.327
Base-Backbone interact. energy: -0.100
local terms energy: -75.017930
where:
bonds (distance) C4'-P energy: -11.187
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -18.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -212.738923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.738923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.738923 (E_RNA)
where:
Base-Base interactions energy: -139.275
where: short stacking energy: -56.599
Base-Backbone interact. energy: -0.351
local terms energy: -73.112969
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -17.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -214.845290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.845290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.845290 (E_RNA)
where:
Base-Base interactions energy: -139.547
where: short stacking energy: -68.661
Base-Backbone interact. energy: -0.653
local terms energy: -74.646063
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -19.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -200.247557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.247557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.247557 (E_RNA)
where:
Base-Base interactions energy: -131.967
where: short stacking energy: -51.466
Base-Backbone interact. energy: -0.058
local terms energy: -68.222316
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -14.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -150.071154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.071154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.071154 (E_RNA)
where:
Base-Base interactions energy: -90.278
where: short stacking energy: -43.907
Base-Backbone interact. energy: -0.257
local terms energy: -59.536822
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -10.394
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: -9.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -97.869310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.869310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.869310 (E_RNA)
where:
Base-Base interactions energy: -39.435
where: short stacking energy: -22.501
Base-Backbone interact. energy: -0.054
local terms energy: -58.380419
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -5.745
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: 8
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -88.571601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.571601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.571601 (E_RNA)
where:
Base-Base interactions energy: -37.814
where: short stacking energy: -27.330
Base-Backbone interact. energy: -0.177
local terms energy: -50.580647
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -0.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -73.326150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.326150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.326150 (E_RNA)
where:
Base-Base interactions energy: -28.987
where: short stacking energy: -24.926
Base-Backbone interact. energy: -0.129
local terms energy: -44.209776
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -8.297
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: 3.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -74.023253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.023253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.023253 (E_RNA)
where:
Base-Base interactions energy: -27.135
where: short stacking energy: -21.036
Base-Backbone interact. energy: -0.103
local terms energy: -46.785369
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -3.288
tors. eta vs tors. theta energy: -1.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -222.305714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.305714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.305714 (E_RNA)
where:
Base-Base interactions energy: -141.471
where: short stacking energy: -69.162
Base-Backbone interact. energy: -0.074
local terms energy: -80.761024
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -21.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -217.114486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.114486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.114486 (E_RNA)
where:
Base-Base interactions energy: -140.194
where: short stacking energy: -66.766
Base-Backbone interact. energy: -0.555
local terms energy: -76.365854
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -20.144
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: 2
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -218.178236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.178236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.178236 (E_RNA)
where:
Base-Base interactions energy: -139.144
where: short stacking energy: -70.540
Base-Backbone interact. energy: -0.051
local terms energy: -78.982843
where:
bonds (distance) C4'-P energy: -17.852
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -20.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -216.238375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.238375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.238375 (E_RNA)
where:
Base-Base interactions energy: -139.632
where: short stacking energy: -72.939
Base-Backbone interact. energy: -0.022
local terms energy: -76.584159
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -20.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -202.804761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.804761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.804761 (E_RNA)
where:
Base-Base interactions energy: -140.750
where: short stacking energy: -65.976
Base-Backbone interact. energy: -0.195
local terms energy: -61.859564
where:
bonds (distance) C4'-P energy: -8.840
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -5.982
tors. eta vs tors. theta energy: -18.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -161.078173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.078173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.078173 (E_RNA)
where:
Base-Base interactions energy: -98.602
where: short stacking energy: -52.696
Base-Backbone interact. energy: -0.057
local terms energy: -62.419151
where:
bonds (distance) C4'-P energy: -8.821
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -14.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -85.906167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.906167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.906167 (E_RNA)
where:
Base-Base interactions energy: -33.878
where: short stacking energy: -28.124
Base-Backbone interact. energy: -0.454
local terms energy: -51.574153
where:
bonds (distance) C4'-P energy: -9.570
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -1.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -85.320650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.320650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.320650 (E_RNA)
where:
Base-Base interactions energy: -34.552
where: short stacking energy: -27.270
Base-Backbone interact. energy: -0.034
local terms energy: -50.735417
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -3.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -85.097640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.097640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.097640 (E_RNA)
where:
Base-Base interactions energy: -34.638
where: short stacking energy: -28.875
Base-Backbone interact. energy: -0.280
local terms energy: -50.179796
where:
bonds (distance) C4'-P energy: -8.803
bonds (distance) P-C4' energy: -10.336
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -4.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -81.863699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.863699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.863699 (E_RNA)
where:
Base-Base interactions energy: -34.152
where: short stacking energy: -31.183
Base-Backbone interact. energy: -0.271
local terms energy: -47.439899
where:
bonds (distance) C4'-P energy: -9.479
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -0.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -227.795514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.795514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.795514 (E_RNA)
where:
Base-Base interactions energy: -146.809
where: short stacking energy: -61.456
Base-Backbone interact. energy: -0.771
local terms energy: -80.215407
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -22.475
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: 360
Temperature: 0.950000
Total energy: -216.693604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.693604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.693604 (E_RNA)
where:
Base-Base interactions energy: -139.832
where: short stacking energy: -66.755
Base-Backbone interact. energy: -0.527
local terms energy: -76.334612
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -20.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -218.031151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.031151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.031151 (E_RNA)
where:
Base-Base interactions energy: -147.451
where: short stacking energy: -61.900
Base-Backbone interact. energy: -0.053
local terms energy: -70.527492
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -20.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -212.202766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.202766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.202766 (E_RNA)
where:
Base-Base interactions energy: -136.576
where: short stacking energy: -63.710
Base-Backbone interact. energy: -0.051
local terms energy: -75.576035
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: -22.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -194.915139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.915139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.915139 (E_RNA)
where:
Base-Base interactions energy: -122.647
where: short stacking energy: -59.454
Base-Backbone interact. energy: -0.054
local terms energy: -72.214908
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -13.178
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -18.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -195.615042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.615042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.615042 (E_RNA)
where:
Base-Base interactions energy: -127.960
where: short stacking energy: -63.626
Base-Backbone interact. energy: -0.027
local terms energy: -67.627473
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -16.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -83.764014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.764014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.764014 (E_RNA)
where:
Base-Base interactions energy: -36.451
where: short stacking energy: -30.853
Base-Backbone interact. energy: 0.093
local terms energy: -47.406522
where:
bonds (distance) C4'-P energy: -3.132
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -6.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -78.265796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.265796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.265796 (E_RNA)
where:
Base-Base interactions energy: -29.345
where: short stacking energy: -29.345
Base-Backbone interact. energy: 0.158
local terms energy: -49.078706
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -10.694
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -2.496
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: 6
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -75.322426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.322426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.322426 (E_RNA)
where:
Base-Base interactions energy: -26.579
where: short stacking energy: -26.579
Base-Backbone interact. energy: 2.767
local terms energy: -51.511076
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -10.605
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -3.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -76.187390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.187390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.187390 (E_RNA)
where:
Base-Base interactions energy: -30.942
where: short stacking energy: -17.517
Base-Backbone interact. energy: -0.226
local terms energy: -45.019721
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -7.721
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: 0.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -221.654882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.654882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.654882 (E_RNA)
where:
Base-Base interactions energy: -139.244
where: short stacking energy: -64.459
Base-Backbone interact. energy: -0.017
local terms energy: -82.394413
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -21.753
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: 2, replica: 4
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -221.420786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.420786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.420786 (E_RNA)
where:
Base-Base interactions energy: -148.906
where: short stacking energy: -63.399
Base-Backbone interact. energy: -0.093
local terms energy: -72.421757
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -11.448
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -20.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -207.972220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.972220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.972220 (E_RNA)
where:
Base-Base interactions energy: -135.914
where: short stacking energy: -61.451
Base-Backbone interact. energy: -0.477
local terms energy: -71.580915
where:
bonds (distance) C4'-P energy: -5.247
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -19.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -210.349544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.349544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.349544 (E_RNA)
where:
Base-Base interactions energy: -136.819
where: short stacking energy: -73.279
Base-Backbone interact. energy: -0.150
local terms energy: -73.380312
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -17.935
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -21.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -213.912299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.912299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.912299 (E_RNA)
where:
Base-Base interactions energy: -145.718
where: short stacking energy: -64.018
Base-Backbone interact. energy: -0.090
local terms energy: -68.104357
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -17.526
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: 361
Temperature: 1.150000
Total energy: -204.607861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.607861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.607861 (E_RNA)
where:
Base-Base interactions energy: -139.312
where: short stacking energy: -60.233
Base-Backbone interact. energy: -0.020
local terms energy: -65.276425
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -12.199
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -13.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -88.696990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.696990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.696990 (E_RNA)
where:
Base-Base interactions energy: -28.125
where: short stacking energy: -23.761
Base-Backbone interact. energy: -0.083
local terms energy: -60.489456
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -5.463
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: 6
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -84.054712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.054712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.054712 (E_RNA)
where:
Base-Base interactions energy: -31.593
where: short stacking energy: -28.463
Base-Backbone interact. energy: -0.926
local terms energy: -51.535707
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -76.950899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.950899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.950899 (E_RNA)
where:
Base-Base interactions energy: -30.663
where: short stacking energy: -30.663
Base-Backbone interact. energy: -0.142
local terms energy: -46.145175
where:
bonds (distance) C4'-P energy: -7.537
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -6.150
tors. eta vs tors. theta energy: -1.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -73.460810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.460810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.460810 (E_RNA)
where:
Base-Base interactions energy: -29.876
where: short stacking energy: -29.876
Base-Backbone interact. energy: 2.291
local terms energy: -45.876171
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -3.397
tors. eta vs tors. theta energy: -3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -225.615869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.615869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.615869 (E_RNA)
where:
Base-Base interactions energy: -152.279
where: short stacking energy: -64.902
Base-Backbone interact. energy: -0.374
local terms energy: -72.962479
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -19.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -212.868687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.868687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.868687 (E_RNA)
where:
Base-Base interactions energy: -138.776
where: short stacking energy: -62.192
Base-Backbone interact. energy: -0.018
local terms energy: -74.074763
where:
bonds (distance) C4'-P energy: -11.455
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -20.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -216.299013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.299013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.299013 (E_RNA)
where:
Base-Base interactions energy: -141.523
where: short stacking energy: -69.718
Base-Backbone interact. energy: -0.045
local terms energy: -74.731436
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -16.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -200.163883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.163883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.163883 (E_RNA)
where:
Base-Base interactions energy: -125.346
where: short stacking energy: -62.196
Base-Backbone interact. energy: -0.166
local terms energy: -74.652053
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -16.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -210.075536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.075536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.075536 (E_RNA)
where:
Base-Base interactions energy: -132.500
where: short stacking energy: -68.865
Base-Backbone interact. energy: -0.000
local terms energy: -77.575360
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -11.577
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -21.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -194.837473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.837473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.837473 (E_RNA)
where:
Base-Base interactions energy: -122.252
where: short stacking energy: -57.188
Base-Backbone interact. energy: -0.003
local terms energy: -72.582277
where:
bonds (distance) C4'-P energy: -9.446
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -18.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -88.475641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.475641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.475641 (E_RNA)
where:
Base-Base interactions energy: -35.817
where: short stacking energy: -35.817
Base-Backbone interact. energy: -0.108
local terms energy: -52.550364
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -8.602
flat angles P-C4'-P energy: -8.848
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: 8, replica: 1
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -96.680587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.680587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.680587 (E_RNA)
where:
Base-Base interactions energy: -34.946
where: short stacking energy: -34.946
Base-Backbone interact. energy: -0.121
local terms energy: -61.613403
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -16.717
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -4.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -74.878900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.878900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.878900 (E_RNA)
where:
Base-Base interactions energy: -32.139
where: short stacking energy: -22.118
Base-Backbone interact. energy: -0.434
local terms energy: -42.306527
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -2.761
tors. eta vs tors. theta energy: 3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -85.474202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.474202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.474202 (E_RNA)
where:
Base-Base interactions energy: -31.072
where: short stacking energy: -31.072
Base-Backbone interact. energy: 1.309
local terms energy: -55.710854
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: -3.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -221.613082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.613082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.613082 (E_RNA)
where:
Base-Base interactions energy: -142.320
where: short stacking energy: -68.968
Base-Backbone interact. energy: -0.050
local terms energy: -79.244023
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -14.577
tors. eta vs tors. theta energy: -18.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -217.792520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.792520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.792520 (E_RNA)
where:
Base-Base interactions energy: -140.082
where: short stacking energy: -68.239
Base-Backbone interact. energy: -0.031
local terms energy: -77.679804
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: -17.130
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: 3, replica: 10
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -217.765586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.765586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.765586 (E_RNA)
where:
Base-Base interactions energy: -139.127
where: short stacking energy: -66.888
Base-Backbone interact. energy: -0.003
local terms energy: -78.635833
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -14.233
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -22.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -211.108896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.108896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.108896 (E_RNA)
where:
Base-Base interactions energy: -140.211
where: short stacking energy: -68.619
Base-Backbone interact. energy: -0.025
local terms energy: -70.872798
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -19.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -196.107327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.107327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.107327 (E_RNA)
where:
Base-Base interactions energy: -130.289
where: short stacking energy: -61.257
Base-Backbone interact. energy: -0.137
local terms energy: -65.681392
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -5.585
tors. eta vs tors. theta energy: -16.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -193.850989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.850989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.850989 (E_RNA)
where:
Base-Base interactions energy: -123.373
where: short stacking energy: -61.900
Base-Backbone interact. energy: -0.093
local terms energy: -70.385011
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -9.347
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -16.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -86.293696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.293696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.293696 (E_RNA)
where:
Base-Base interactions energy: -39.885
where: short stacking energy: -30.103
Base-Backbone interact. energy: -0.056
local terms energy: -46.352574
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -9.980
flat angles C4'-P-C4' energy: -10.102
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -5.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -84.834457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.834457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.834457 (E_RNA)
where:
Base-Base interactions energy: -30.616
where: short stacking energy: -23.402
Base-Backbone interact. energy: -0.992
local terms energy: -53.226366
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: 1.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -83.203148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.203148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.203148 (E_RNA)
where:
Base-Base interactions energy: -25.500
where: short stacking energy: -25.500
Base-Backbone interact. energy: -0.306
local terms energy: -57.397186
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -1.904
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: 10, replica: 9
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -76.886814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.886814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.886814 (E_RNA)
where:
Base-Base interactions energy: -28.642
where: short stacking energy: -28.085
Base-Backbone interact. energy: -0.114
local terms energy: -48.130808
where:
bonds (distance) C4'-P energy: -8.991
bonds (distance) P-C4' energy: -11.978
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -6.113
tors. eta vs tors. theta energy: -5.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -226.946795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.946795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.946795 (E_RNA)
where:
Base-Base interactions energy: -142.739
where: short stacking energy: -63.771
Base-Backbone interact. energy: 0.062
local terms energy: -84.269331
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -20.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -217.375255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.375255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.375255 (E_RNA)
where:
Base-Base interactions energy: -146.682
where: short stacking energy: -65.272
Base-Backbone interact. energy: -0.445
local terms energy: -70.248138
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -18.890
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: 7
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -210.213731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.213731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.213731 (E_RNA)
where:
Base-Base interactions energy: -140.613
where: short stacking energy: -60.958
Base-Backbone interact. energy: -0.312
local terms energy: -69.288765
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -19.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -212.502937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.502937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.502937 (E_RNA)
where:
Base-Base interactions energy: -138.407
where: short stacking energy: -68.804
Base-Backbone interact. energy: -0.025
local terms energy: -74.070803
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -19.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -196.016162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.016162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.016162 (E_RNA)
where:
Base-Base interactions energy: -129.633
where: short stacking energy: -52.317
Base-Backbone interact. energy: -0.069
local terms energy: -66.313898
where:
bonds (distance) C4'-P energy: -6.799
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -15.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -176.515688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.515688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.515688 (E_RNA)
where:
Base-Base interactions energy: -110.099
where: short stacking energy: -54.306
Base-Backbone interact. energy: -0.391
local terms energy: -66.025231
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -12.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -85.151566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.151566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.151566 (E_RNA)
where:
Base-Base interactions energy: -34.797
where: short stacking energy: -29.561
Base-Backbone interact. energy: -0.379
local terms energy: -49.975579
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -9.789
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -3.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -87.124120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.124120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.124120 (E_RNA)
where:
Base-Base interactions energy: -25.502
where: short stacking energy: -25.502
Base-Backbone interact. energy: -0.029
local terms energy: -61.592656
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -6.900
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: 9, replica: 9
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -78.864881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.864881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.864881 (E_RNA)
where:
Base-Base interactions energy: -30.909
where: short stacking energy: -30.445
Base-Backbone interact. energy: -0.046
local terms energy: -47.910418
where:
bonds (distance) C4'-P energy: -10.262
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -2.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -71.916122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.916122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.916122 (E_RNA)
where:
Base-Base interactions energy: -24.679
where: short stacking energy: -14.288
Base-Backbone interact. energy: -0.247
local terms energy: -46.990378
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -1.477
tors. eta vs tors. theta energy: -0.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -223.204178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.204178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.204178 (E_RNA)
where:
Base-Base interactions energy: -147.308
where: short stacking energy: -61.048
Base-Backbone interact. energy: -0.019
local terms energy: -75.876922
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -12.568
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -19.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -220.419324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.419324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.419324 (E_RNA)
where:
Base-Base interactions energy: -140.864
where: short stacking energy: -69.142
Base-Backbone interact. energy: -0.006
local terms energy: -79.549351
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -21.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -216.626754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.626754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.626754 (E_RNA)
where:
Base-Base interactions energy: -137.710
where: short stacking energy: -60.790
Base-Backbone interact. energy: -0.079
local terms energy: -78.838310
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -18.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -212.658859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.658859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.658859 (E_RNA)
where:
Base-Base interactions energy: -136.600
where: short stacking energy: -67.719
Base-Backbone interact. energy: -0.040
local terms energy: -76.018547
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -22.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -187.876141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.876141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.876141 (E_RNA)
where:
Base-Base interactions energy: -124.057
where: short stacking energy: -60.269
Base-Backbone interact. energy: 1.430
local terms energy: -65.248647
where:
bonds (distance) C4'-P energy: -9.818
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -18.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -180.989115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.989115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.989115 (E_RNA)
where:
Base-Base interactions energy: -116.583
where: short stacking energy: -48.442
Base-Backbone interact. energy: -0.396
local terms energy: -64.009541
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -15.111
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -13.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -90.739542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.739542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.739542 (E_RNA)
where:
Base-Base interactions energy: -41.378
where: short stacking energy: -26.750
Base-Backbone interact. energy: -0.387
local terms energy: -48.975072
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: 1.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -77.221663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.221663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.221663 (E_RNA)
where:
Base-Base interactions energy: -32.007
where: short stacking energy: -27.982
Base-Backbone interact. energy: -0.189
local terms energy: -45.025032
where:
bonds (distance) C4'-P energy: -8.124
bonds (distance) P-C4' energy: -13.935
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -4.176
tors. eta vs tors. theta energy: -5.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -88.856806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.856806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.856806 (E_RNA)
where:
Base-Base interactions energy: -34.662
where: short stacking energy: -34.662
Base-Backbone interact. energy: -0.041
local terms energy: -54.153396
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -10.438
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -10.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -81.514124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.514124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.514124 (E_RNA)
where:
Base-Base interactions energy: -31.267
where: short stacking energy: -31.267
Base-Backbone interact. energy: -0.061
local terms energy: -50.186053
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -8.718
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -6.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -228.278881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.278881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.278881 (E_RNA)
where:
Base-Base interactions energy: -157.975
where: short stacking energy: -60.406
Base-Backbone interact. energy: -0.099
local terms energy: -70.204037
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -18.458
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: 2, replica: 3
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -223.758108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.758108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.758108 (E_RNA)
where:
Base-Base interactions energy: -146.600
where: short stacking energy: -69.532
Base-Backbone interact. energy: -0.062
local terms energy: -77.096429
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -20.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -216.994049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.994049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.994049 (E_RNA)
where:
Base-Base interactions energy: -138.687
where: short stacking energy: -68.167
Base-Backbone interact. energy: -0.034
local terms energy: -78.272671
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -22.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -211.941792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.941792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.941792 (E_RNA)
where:
Base-Base interactions energy: -144.214
where: short stacking energy: -69.921
Base-Backbone interact. energy: -0.116
local terms energy: -67.611025
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -20.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -190.095362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.095362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.095362 (E_RNA)
where:
Base-Base interactions energy: -124.204
where: short stacking energy: -62.900
Base-Backbone interact. energy: -0.010
local terms energy: -65.881857
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -15.260
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: 2
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -200.032115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.032115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.032115 (E_RNA)
where:
Base-Base interactions energy: -125.087
where: short stacking energy: -60.158
Base-Backbone interact. energy: -0.793
local terms energy: -74.151832
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -16.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -113.966752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.966752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.966752 (E_RNA)
where:
Base-Base interactions energy: -65.169
where: short stacking energy: -38.438
Base-Backbone interact. energy: 0.897
local terms energy: -49.694828
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -10.524
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -9.081
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: 6
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -90.236875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.236875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.236875 (E_RNA)
where:
Base-Base interactions energy: -46.327
where: short stacking energy: -23.969
Base-Backbone interact. energy: -0.070
local terms energy: -43.839657
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -9.356
flat angles P-C4'-P energy: -5.188
tors. eta vs tors. theta energy: -1.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -70.248042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.248042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.248042 (E_RNA)
where:
Base-Base interactions energy: -23.853
where: short stacking energy: -20.064
Base-Backbone interact. energy: 0.535
local terms energy: -46.930086
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -11.692
flat angles C4'-P-C4' energy: -9.658
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -5.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -74.832020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.832020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.832020 (E_RNA)
where:
Base-Base interactions energy: -26.431
where: short stacking energy: -20.728
Base-Backbone interact. energy: -0.173
local terms energy: -48.227739
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: 0.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -224.385733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.385733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.385733 (E_RNA)
where:
Base-Base interactions energy: -149.289
where: short stacking energy: -66.454
Base-Backbone interact. energy: -0.326
local terms energy: -74.770147
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -17.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -221.802768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.802768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.802768 (E_RNA)
where:
Base-Base interactions energy: -142.177
where: short stacking energy: -72.737
Base-Backbone interact. energy: -0.047
local terms energy: -79.578349
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -22.494
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: 3, replica: 3
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -216.886837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.886837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.886837 (E_RNA)
where:
Base-Base interactions energy: -140.352
where: short stacking energy: -61.895
Base-Backbone interact. energy: -0.033
local terms energy: -76.502164
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -12.390
tors. eta vs tors. theta energy: -21.079
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: 4, replica: 5
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -208.613522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.613522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.613522 (E_RNA)
where:
Base-Base interactions energy: -137.118
where: short stacking energy: -58.445
Base-Backbone interact. energy: -0.008
local terms energy: -71.486594
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -15.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -203.233579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.233579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.233579 (E_RNA)
where:
Base-Base interactions energy: -126.994
where: short stacking energy: -61.586
Base-Backbone interact. energy: -0.085
local terms energy: -76.154540
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -20.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -196.402823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.402823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.402823 (E_RNA)
where:
Base-Base interactions energy: -133.964
where: short stacking energy: -67.341
Base-Backbone interact. energy: -0.002
local terms energy: -62.436912
where:
bonds (distance) C4'-P energy: -7.004
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -17.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -92.453771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.453771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.453771 (E_RNA)
where:
Base-Base interactions energy: -46.839
where: short stacking energy: -33.534
Base-Backbone interact. energy: -0.334
local terms energy: -45.280720
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: -0.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -82.617437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.617437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.617437 (E_RNA)
where:
Base-Base interactions energy: -24.153
where: short stacking energy: -20.267
Base-Backbone interact. energy: 1.012
local terms energy: -59.476576
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -0.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -85.312412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.312412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.312412 (E_RNA)
where:
Base-Base interactions energy: -38.840
where: short stacking energy: -29.234
Base-Backbone interact. energy: -0.368
local terms energy: -46.104804
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -5.752
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: 1.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -72.964782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.964782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.964782 (E_RNA)
where:
Base-Base interactions energy: -26.351
where: short stacking energy: -25.075
Base-Backbone interact. energy: -0.271
local terms energy: -46.342151
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -1.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -221.437091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.437091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.437091 (E_RNA)
where:
Base-Base interactions energy: -142.071
where: short stacking energy: -69.049
Base-Backbone interact. energy: 0.593
local terms energy: -79.959036
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -15.633
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -21.885
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: 2, replica: 7
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -213.180817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.180817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.180817 (E_RNA)
where:
Base-Base interactions energy: -148.663
where: short stacking energy: -68.589
Base-Backbone interact. energy: -0.166
local terms energy: -64.351952
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -17.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -213.492328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.492328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.492328 (E_RNA)
where:
Base-Base interactions energy: -139.606
where: short stacking energy: -63.844
Base-Backbone interact. energy: -0.002
local terms energy: -73.884613
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -21.929
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: 4, replica: 3
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -206.869852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.869852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.869852 (E_RNA)
where:
Base-Base interactions energy: -130.027
where: short stacking energy: -60.865
Base-Backbone interact. energy: -0.524
local terms energy: -76.318623
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -21.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -190.755625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.755625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.755625 (E_RNA)
where:
Base-Base interactions energy: -124.600
where: short stacking energy: -60.665
Base-Backbone interact. energy: -0.015
local terms energy: -66.140671
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -17.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -194.485815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.485815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.485815 (E_RNA)
where:
Base-Base interactions energy: -132.816
where: short stacking energy: -57.088
Base-Backbone interact. energy: -0.332
local terms energy: -61.337611
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -14.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -101.649153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.649153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.649153 (E_RNA)
where:
Base-Base interactions energy: -45.241
where: short stacking energy: -35.833
Base-Backbone interact. energy: -0.019
local terms energy: -56.389222
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -4.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -80.897349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.897349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.897349 (E_RNA)
where:
Base-Base interactions energy: -34.718
where: short stacking energy: -33.001
Base-Backbone interact. energy: -0.137
local terms energy: -46.041955
where:
bonds (distance) C4'-P energy: -8.555
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -5.098
tors. eta vs tors. theta energy: -3.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -85.598421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.598421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.598421 (E_RNA)
where:
Base-Base interactions energy: -37.937
where: short stacking energy: -25.582
Base-Backbone interact. energy: 0.076
local terms energy: -47.737430
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -7.661
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -5.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -76.441665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.441665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.441665 (E_RNA)
where:
Base-Base interactions energy: -23.674
where: short stacking energy: -23.301
Base-Backbone interact. energy: -0.246
local terms energy: -52.522003
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: 0.630
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: 1, replica: 10
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -226.269240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.269240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.269240 (E_RNA)
where:
Base-Base interactions energy: -144.332
where: short stacking energy: -68.568
Base-Backbone interact. energy: -0.008
local terms energy: -81.929095
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -22.573
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: 5
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -219.121346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.121346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.121346 (E_RNA)
where:
Base-Base interactions energy: -144.371
where: short stacking energy: -60.674
Base-Backbone interact. energy: -0.031
local terms energy: -74.719287
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -21.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -223.635087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.635087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.635087 (E_RNA)
where:
Base-Base interactions energy: -143.341
where: short stacking energy: -66.756
Base-Backbone interact. energy: -0.086
local terms energy: -80.207746
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -21.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -218.221553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.221553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.221553 (E_RNA)
where:
Base-Base interactions energy: -150.762
where: short stacking energy: -61.842
Base-Backbone interact. energy: -0.010
local terms energy: -67.449486
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -15.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -199.286001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.286001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.286001 (E_RNA)
where:
Base-Base interactions energy: -129.769
where: short stacking energy: -60.416
Base-Backbone interact. energy: 1.020
local terms energy: -70.536917
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -13.387
tors. eta vs tors. theta energy: -18.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -200.757794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.757794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.757794 (E_RNA)
where:
Base-Base interactions energy: -132.813
where: short stacking energy: -59.723
Base-Backbone interact. energy: -0.055
local terms energy: -67.889990
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -21.420
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: 1
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -89.169146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.169146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.169146 (E_RNA)
where:
Base-Base interactions energy: -30.771
where: short stacking energy: -30.771
Base-Backbone interact. energy: -0.144
local terms energy: -58.254420
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -7.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -81.832430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.832430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.832430 (E_RNA)
where:
Base-Base interactions energy: -35.477
where: short stacking energy: -32.395
Base-Backbone interact. energy: -0.059
local terms energy: -46.296186
where:
bonds (distance) C4'-P energy: -8.833
bonds (distance) P-C4' energy: -13.158
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -0.743
tors. eta vs tors. theta energy: -9.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -77.684488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.684488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.684488 (E_RNA)
where:
Base-Base interactions energy: -30.120
where: short stacking energy: -29.957
Base-Backbone interact. energy: -0.259
local terms energy: -47.305332
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: 2.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -71.130454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.130454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.130454 (E_RNA)
where:
Base-Base interactions energy: -25.547
where: short stacking energy: -25.547
Base-Backbone interact. energy: 0.509
local terms energy: -46.093295
where:
bonds (distance) C4'-P energy: -8.555
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -9.692
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -1.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -224.791427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.791427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.791427 (E_RNA)
where:
Base-Base interactions energy: -144.729
where: short stacking energy: -69.015
Base-Backbone interact. energy: -0.001
local terms energy: -80.062154
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -22.319
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: 10
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -221.113180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.113180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.113180 (E_RNA)
where:
Base-Base interactions energy: -143.085
where: short stacking energy: -64.663
Base-Backbone interact. energy: 0.152
local terms energy: -78.180082
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -20.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -218.893976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.893976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.893976 (E_RNA)
where:
Base-Base interactions energy: -151.044
where: short stacking energy: -64.314
Base-Backbone interact. energy: -0.063
local terms energy: -67.787019
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -9.976
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -16.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -202.250368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.250368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.250368 (E_RNA)
where:
Base-Base interactions energy: -123.012
where: short stacking energy: -48.690
Base-Backbone interact. energy: -0.107
local terms energy: -79.131738
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -19.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -185.224280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.224280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.224280 (E_RNA)
where:
Base-Base interactions energy: -116.926
where: short stacking energy: -54.810
Base-Backbone interact. energy: -0.108
local terms energy: -68.190138
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -12.164
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -15.865
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: 3
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -183.935183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.935183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.935183 (E_RNA)
where:
Base-Base interactions energy: -118.421
where: short stacking energy: -56.660
Base-Backbone interact. energy: -0.089
local terms energy: -65.425088
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -5.415
tors. eta vs tors. theta energy: -16.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -91.225341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.225341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.225341 (E_RNA)
where:
Base-Base interactions energy: -38.634
where: short stacking energy: -29.684
Base-Backbone interact. energy: -0.129
local terms energy: -52.461948
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -3.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -86.138742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.138742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.138742 (E_RNA)
where:
Base-Base interactions energy: -33.475
where: short stacking energy: -30.562
Base-Backbone interact. energy: -0.123
local terms energy: -52.541138
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -10.407
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -4.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -79.111331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.111331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.111331 (E_RNA)
where:
Base-Base interactions energy: -31.020
where: short stacking energy: -20.749
Base-Backbone interact. energy: -0.191
local terms energy: -47.900289
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -7.600
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -0.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -67.685807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.685807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.685807 (E_RNA)
where:
Base-Base interactions energy: -25.737
where: short stacking energy: -26.337
Base-Backbone interact. energy: -0.208
local terms energy: -41.741034
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -9.909
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: 1.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -228.573272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.573272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.573272 (E_RNA)
where:
Base-Base interactions energy: -157.991
where: short stacking energy: -65.622
Base-Backbone interact. energy: -0.061
local terms energy: -70.521409
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -16.791
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: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -219.399104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.399104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.399104 (E_RNA)
where:
Base-Base interactions energy: -144.497
where: short stacking energy: -66.660
Base-Backbone interact. energy: -0.509
local terms energy: -74.392778
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -18.678
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: 3, replica: 10
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -212.545790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.545790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.545790 (E_RNA)
where:
Base-Base interactions energy: -135.237
where: short stacking energy: -59.229
Base-Backbone interact. energy: -1.275
local terms energy: -76.034039
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -19.277
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: 4, replica: 7
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -212.377184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.377184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.377184 (E_RNA)
where:
Base-Base interactions energy: -138.166
where: short stacking energy: -62.331
Base-Backbone interact. energy: 0.518
local terms energy: -74.729900
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -22.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -197.942472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.942472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.942472 (E_RNA)
where:
Base-Base interactions energy: -127.260
where: short stacking energy: -61.950
Base-Backbone interact. energy: -0.101
local terms energy: -70.580971
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -13.975
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -20.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -201.082310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.082310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.082310 (E_RNA)
where:
Base-Base interactions energy: -126.177
where: short stacking energy: -56.543
Base-Backbone interact. energy: -0.019
local terms energy: -74.886362
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -18.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -90.959650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.959650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.959650 (E_RNA)
where:
Base-Base interactions energy: -41.305
where: short stacking energy: -26.943
Base-Backbone interact. energy: 0.554
local terms energy: -50.209098
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: 0.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -94.527956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.527956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.527956 (E_RNA)
where:
Base-Base interactions energy: -34.905
where: short stacking energy: -20.153
Base-Backbone interact. energy: -0.217
local terms energy: -59.405093
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -3.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -72.436865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.436865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.436865 (E_RNA)
where:
Base-Base interactions energy: -23.937
where: short stacking energy: -22.094
Base-Backbone interact. energy: -0.104
local terms energy: -48.395467
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -8.308
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -2.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -94.233788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.233788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.233788 (E_RNA)
where:
Base-Base interactions energy: -39.239
where: short stacking energy: -38.556
Base-Backbone interact. energy: -0.311
local terms energy: -54.683077
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -8.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -224.377656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.377656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.377656 (E_RNA)
where:
Base-Base interactions energy: -147.237
where: short stacking energy: -67.420
Base-Backbone interact. energy: -0.747
local terms energy: -76.393779
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -21.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -222.155844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.155844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.155844 (E_RNA)
where:
Base-Base interactions energy: -147.068
where: short stacking energy: -64.278
Base-Backbone interact. energy: 0.470
local terms energy: -75.557585
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -13.285
tors. eta vs tors. theta energy: -17.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -213.590314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.590314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.590314 (E_RNA)
where:
Base-Base interactions energy: -136.991
where: short stacking energy: -62.986
Base-Backbone interact. energy: -0.080
local terms energy: -76.519604
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -18.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -210.458636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.458636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.458636 (E_RNA)
where:
Base-Base interactions energy: -130.912
where: short stacking energy: -63.998
Base-Backbone interact. energy: -0.160
local terms energy: -79.386781
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -21.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -203.160865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.160865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.160865 (E_RNA)
where:
Base-Base interactions energy: -132.646
where: short stacking energy: -61.615
Base-Backbone interact. energy: -0.096
local terms energy: -70.419366
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -21.261
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: 6, replica: 3
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -178.701043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.701043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.701043 (E_RNA)
where:
Base-Base interactions energy: -114.642
where: short stacking energy: -55.240
Base-Backbone interact. energy: -0.105
local terms energy: -63.954375
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -14.389
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: 6
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -90.721935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.721935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.721935 (E_RNA)
where:
Base-Base interactions energy: -35.628
where: short stacking energy: -35.305
Base-Backbone interact. energy: 0.697
local terms energy: -55.790125
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -10.400
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -7.387
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: 8, replica: 9
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -83.594458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.594458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.594458 (E_RNA)
where:
Base-Base interactions energy: -36.619
where: short stacking energy: -36.619
Base-Backbone interact. energy: 0.036
local terms energy: -47.011665
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -10.973
flat angles C4'-P-C4' energy: -9.384
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -5.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -77.454918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.454918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.454918 (E_RNA)
where:
Base-Base interactions energy: -31.986
where: short stacking energy: -25.079
Base-Backbone interact. energy: -0.136
local terms energy: -45.333141
where:
bonds (distance) C4'-P energy: -7.906
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -8.981
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -3.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -79.883081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.883081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.883081 (E_RNA)
where:
Base-Base interactions energy: -42.837
where: short stacking energy: -23.444
Base-Backbone interact. energy: -0.399
local terms energy: -36.647687
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -10.555
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -5.538
tors. eta vs tors. theta energy: 5.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -229.038390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.038390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.038390 (E_RNA)
where:
Base-Base interactions energy: -155.908
where: short stacking energy: -69.947
Base-Backbone interact. energy: -0.011
local terms energy: -73.119606
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -18.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -218.276114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.276114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.276114 (E_RNA)
where:
Base-Base interactions energy: -140.442
where: short stacking energy: -71.862
Base-Backbone interact. energy: -0.000
local terms energy: -77.834134
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -20.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -213.257096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.257096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.257096 (E_RNA)
where:
Base-Base interactions energy: -139.849
where: short stacking energy: -65.265
Base-Backbone interact. energy: -0.041
local terms energy: -73.367204
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: -17.211
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: 4
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -209.914454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.914454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.914454 (E_RNA)
where:
Base-Base interactions energy: -135.037
where: short stacking energy: -70.698
Base-Backbone interact. energy: -0.015
local terms energy: -74.862013
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -9.343
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -21.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -197.489821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.489821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.489821 (E_RNA)
where:
Base-Base interactions energy: -123.625
where: short stacking energy: -55.885
Base-Backbone interact. energy: -0.003
local terms energy: -73.862040
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -17.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -99.422321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.422321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.422321 (E_RNA)
where:
Base-Base interactions energy: -41.235
where: short stacking energy: -41.235
Base-Backbone interact. energy: 0.379
local terms energy: -58.566456
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -9.676
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: 7, replica: 3
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -181.178820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.178820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.178820 (E_RNA)
where:
Base-Base interactions energy: -109.381
where: short stacking energy: -48.242
Base-Backbone interact. energy: -0.639
local terms energy: -71.159072
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -14.659
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: 8, replica: 8
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -82.333634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.333634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.333634 (E_RNA)
where:
Base-Base interactions energy: -28.398
where: short stacking energy: -27.215
Base-Backbone interact. energy: -0.270
local terms energy: -53.666000
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -14.263
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -10.435
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: 9, replica: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -87.291843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.291843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.291843 (E_RNA)
where:
Base-Base interactions energy: -29.945
where: short stacking energy: -29.945
Base-Backbone interact. energy: -0.244
local terms energy: -57.102713
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -6.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -77.406553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.406553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.406553 (E_RNA)
where:
Base-Base interactions energy: -26.465
where: short stacking energy: -16.093
Base-Backbone interact. energy: -0.464
local terms energy: -50.477350
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -0.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -225.272760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.272760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.272760 (E_RNA)
where:
Base-Base interactions energy: -153.069
where: short stacking energy: -67.662
Base-Backbone interact. energy: -0.204
local terms energy: -71.999542
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -20.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -222.423991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.423991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.423991 (E_RNA)
where:
Base-Base interactions energy: -148.679
where: short stacking energy: -68.182
Base-Backbone interact. energy: -0.009
local terms energy: -73.736297
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -19.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -220.436377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.436377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.436377 (E_RNA)
where:
Base-Base interactions energy: -150.135
where: short stacking energy: -67.792
Base-Backbone interact. energy: -0.491
local terms energy: -69.810471
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -16.218
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: 374
Temperature: 1.050000
Total energy: -214.132829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.132829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.132829 (E_RNA)
where:
Base-Base interactions energy: -138.410
where: short stacking energy: -62.764
Base-Backbone interact. energy: -0.084
local terms energy: -75.638913
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -21.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -184.190315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.190315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.190315 (E_RNA)
where:
Base-Base interactions energy: -115.563
where: short stacking energy: -48.204
Base-Backbone interact. energy: -0.002
local terms energy: -68.625554
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -12.111
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -13.049
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: 6
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -88.769627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.769627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.769627 (E_RNA)
where:
Base-Base interactions energy: -32.238
where: short stacking energy: -29.690
Base-Backbone interact. energy: 0.000
local terms energy: -56.532236
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -10.042
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: 7, replica: 3
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -175.017804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.017804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.017804 (E_RNA)
where:
Base-Base interactions energy: -111.151
where: short stacking energy: -50.025
Base-Backbone interact. energy: -0.197
local terms energy: -63.669494
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -13.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -85.881030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.881030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.881030 (E_RNA)
where:
Base-Base interactions energy: -27.674
where: short stacking energy: -9.667
Base-Backbone interact. energy: -0.808
local terms energy: -57.399161
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: 2.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -95.224065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.224065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.224065 (E_RNA)
where:
Base-Base interactions energy: -44.569
where: short stacking energy: -39.380
Base-Backbone interact. energy: 2.533
local terms energy: -53.187568
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -6.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -74.286454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.286454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.286454 (E_RNA)
where:
Base-Base interactions energy: -26.811
where: short stacking energy: -26.811
Base-Backbone interact. energy: -0.021
local terms energy: -47.454715
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -7.085
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -3.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -218.849405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.849405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.849405 (E_RNA)
where:
Base-Base interactions energy: -143.575
where: short stacking energy: -57.224
Base-Backbone interact. energy: -0.852
local terms energy: -74.422346
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -17.205
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: 2
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -228.934537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.934537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.934537 (E_RNA)
where:
Base-Base interactions energy: -149.638
where: short stacking energy: -71.295
Base-Backbone interact. energy: -0.009
local terms energy: -79.287601
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -20.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -214.674129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.674129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.674129 (E_RNA)
where:
Base-Base interactions energy: -140.274
where: short stacking energy: -69.683
Base-Backbone interact. energy: -0.012
local terms energy: -74.388594
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -20.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -205.418551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.418551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.418551 (E_RNA)
where:
Base-Base interactions energy: -131.461
where: short stacking energy: -61.808
Base-Backbone interact. energy: -0.008
local terms energy: -73.950173
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -6.209
tors. eta vs tors. theta energy: -19.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -154.441217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.441217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.441217 (E_RNA)
where:
Base-Base interactions energy: -99.165
where: short stacking energy: -39.936
Base-Backbone interact. energy: -0.411
local terms energy: -54.865400
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -1.829
tors. eta vs tors. theta energy: -8.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -193.596503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.596503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.596503 (E_RNA)
where:
Base-Base interactions energy: -132.078
where: short stacking energy: -57.068
Base-Backbone interact. energy: -0.001
local terms energy: -61.517684
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -17.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -98.873638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.873638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.873638 (E_RNA)
where:
Base-Base interactions energy: -38.753
where: short stacking energy: -38.753
Base-Backbone interact. energy: 0.895
local terms energy: -61.015673
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -3.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -91.202643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.202643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.202643 (E_RNA)
where:
Base-Base interactions energy: -36.877
where: short stacking energy: -35.912
Base-Backbone interact. energy: -0.568
local terms energy: -53.757229
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -4.315
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: 375
Temperature: 1.300000
Total energy: -81.683776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.683776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.683776 (E_RNA)
where:
Base-Base interactions energy: -35.165
where: short stacking energy: -16.636
Base-Backbone interact. energy: 0.401
local terms energy: -46.919700
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -10.774
flat angles C4'-P-C4' energy: -11.890
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: 2.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -71.509338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.509338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.509338 (E_RNA)
where:
Base-Base interactions energy: -23.977
where: short stacking energy: -23.977
Base-Backbone interact. energy: -0.022
local terms energy: -47.510957
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -9.657
flat angles P-C4'-P energy: -5.449
tors. eta vs tors. theta energy: -5.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -221.530190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.530190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.530190 (E_RNA)
where:
Base-Base interactions energy: -147.269
where: short stacking energy: -70.380
Base-Backbone interact. energy: -0.002
local terms energy: -74.259546
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -20.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -221.791444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.791444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.791444 (E_RNA)
where:
Base-Base interactions energy: -146.145
where: short stacking energy: -63.144
Base-Backbone interact. energy: -0.578
local terms energy: -75.068237
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -20.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -212.895718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.895718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.895718 (E_RNA)
where:
Base-Base interactions energy: -136.452
where: short stacking energy: -71.092
Base-Backbone interact. energy: -0.022
local terms energy: -76.422369
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -21.250
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: 7
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -208.962194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.962194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.962194 (E_RNA)
where:
Base-Base interactions energy: -135.234
where: short stacking energy: -64.243
Base-Backbone interact. energy: -0.178
local terms energy: -73.550375
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -20.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -189.626741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.626741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.626741 (E_RNA)
where:
Base-Base interactions energy: -127.177
where: short stacking energy: -62.333
Base-Backbone interact. energy: -0.020
local terms energy: -62.429387
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -10.493
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -18.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -167.377982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.377982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.377982 (E_RNA)
where:
Base-Base interactions energy: -108.300
where: short stacking energy: -43.972
Base-Backbone interact. energy: -0.095
local terms energy: -58.983048
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -12.444
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -10.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -93.652220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.652220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.652220 (E_RNA)
where:
Base-Base interactions energy: -45.813
where: short stacking energy: -27.811
Base-Backbone interact. energy: 0.677
local terms energy: -48.515623
where:
bonds (distance) C4'-P energy: -6.878
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -3.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -103.060124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.060124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.060124 (E_RNA)
where:
Base-Base interactions energy: -44.366
where: short stacking energy: -43.077
Base-Backbone interact. energy: -0.059
local terms energy: -58.635574
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -8.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -99.612987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.612987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.612987 (E_RNA)
where:
Base-Base interactions energy: -56.711
where: short stacking energy: -34.421
Base-Backbone interact. energy: -0.713
local terms energy: -42.189214
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: 0.710
tors. eta vs tors. theta energy: -3.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -81.185203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.185203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.185203 (E_RNA)
where:
Base-Base interactions energy: -22.271
where: short stacking energy: -21.397
Base-Backbone interact. energy: -0.001
local terms energy: -58.913558
where:
bonds (distance) C4'-P energy: -12.184
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -6.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -227.239356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.239356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.239356 (E_RNA)
where:
Base-Base interactions energy: -151.122
where: short stacking energy: -71.621
Base-Backbone interact. energy: -0.025
local terms energy: -76.092138
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -19.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -219.608793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.608793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.608793 (E_RNA)
where:
Base-Base interactions energy: -143.733
where: short stacking energy: -58.117
Base-Backbone interact. energy: -0.074
local terms energy: -75.801761
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -18.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -197.513615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.513615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.513615 (E_RNA)
where:
Base-Base interactions energy: -128.557
where: short stacking energy: -53.469
Base-Backbone interact. energy: -0.760
local terms energy: -68.197213
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -13.552
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: 4, replica: 3
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -208.732228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.732228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.732228 (E_RNA)
where:
Base-Base interactions energy: -140.603
where: short stacking energy: -68.008
Base-Backbone interact. energy: -0.045
local terms energy: -68.084154
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -6.882
tors. eta vs tors. theta energy: -18.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -202.023402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.023402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.023402 (E_RNA)
where:
Base-Base interactions energy: -139.396
where: short stacking energy: -55.951
Base-Backbone interact. energy: -0.106
local terms energy: -62.520948
where:
bonds (distance) C4'-P energy: -5.608
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -19.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -118.404074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.404074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.404074 (E_RNA)
where:
Base-Base interactions energy: -67.038
where: short stacking energy: -35.038
Base-Backbone interact. energy: -0.159
local terms energy: -51.206663
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -14.537
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -1.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -91.895284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.895284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.895284 (E_RNA)
where:
Base-Base interactions energy: -42.610
where: short stacking energy: -33.357
Base-Backbone interact. energy: -0.272
local terms energy: -49.013082
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -8.453
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -2.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -78.867068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.867068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.867068 (E_RNA)
where:
Base-Base interactions energy: -38.236
where: short stacking energy: -29.279
Base-Backbone interact. energy: -0.334
local terms energy: -40.297326
where:
bonds (distance) C4'-P energy: -3.620
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -5.886
tors. eta vs tors. theta energy: -2.326
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: 6
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -84.225091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.225091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.225091 (E_RNA)
where:
Base-Base interactions energy: -30.051
where: short stacking energy: -24.947
Base-Backbone interact. energy: -0.204
local terms energy: -53.969971
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -75.666636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.666636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.666636 (E_RNA)
where:
Base-Base interactions energy: -30.434
where: short stacking energy: -18.529
Base-Backbone interact. energy: -0.405
local terms energy: -44.826860
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -7.107
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: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -223.907398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.907398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.907398 (E_RNA)
where:
Base-Base interactions energy: -153.761
where: short stacking energy: -74.226
Base-Backbone interact. energy: 0.087
local terms energy: -70.233403
where:
bonds (distance) C4'-P energy: -8.981
bonds (distance) P-C4' energy: -11.914
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -21.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -215.857825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.857825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.857825 (E_RNA)
where:
Base-Base interactions energy: -136.082
where: short stacking energy: -63.669
Base-Backbone interact. energy: -0.000
local terms energy: -79.776204
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -21.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -214.262801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.262801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.262801 (E_RNA)
where:
Base-Base interactions energy: -138.339
where: short stacking energy: -66.103
Base-Backbone interact. energy: 0.067
local terms energy: -75.989807
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -18.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -204.184639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.184639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.184639 (E_RNA)
where:
Base-Base interactions energy: -134.369
where: short stacking energy: -69.210
Base-Backbone interact. energy: -0.062
local terms energy: -69.754605
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -19.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -191.568769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.568769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.568769 (E_RNA)
where:
Base-Base interactions energy: -126.289
where: short stacking energy: -52.613
Base-Backbone interact. energy: 0.051
local terms energy: -65.329995
where:
bonds (distance) C4'-P energy: -8.914
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -14.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -85.412796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.412796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.412796 (E_RNA)
where:
Base-Base interactions energy: -35.674
where: short stacking energy: -29.708
Base-Backbone interact. energy: 0.298
local terms energy: -50.037053
where:
bonds (distance) C4'-P energy: -9.690
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -5.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -91.334049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.334049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.334049 (E_RNA)
where:
Base-Base interactions energy: -37.837
where: short stacking energy: -34.074
Base-Backbone interact. energy: -0.244
local terms energy: -53.253366
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -2.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -75.442054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.442054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.442054 (E_RNA)
where:
Base-Base interactions energy: -24.768
where: short stacking energy: -24.768
Base-Backbone interact. energy: 1.193
local terms energy: -51.867871
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -9.377
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -4.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -79.748102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.748102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.748102 (E_RNA)
where:
Base-Base interactions energy: -34.397
where: short stacking energy: -33.613
Base-Backbone interact. energy: -0.085
local terms energy: -45.266237
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -10.008
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -1.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -71.034137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.034137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.034137 (E_RNA)
where:
Base-Base interactions energy: -19.895
where: short stacking energy: -14.912
Base-Backbone interact. energy: -0.229
local terms energy: -50.910085
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -1.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -219.491807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.491807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.491807 (E_RNA)
where:
Base-Base interactions energy: -146.711
where: short stacking energy: -68.717
Base-Backbone interact. energy: -0.001
local terms energy: -72.779381
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -20.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -222.334006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.334006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.334006 (E_RNA)
where:
Base-Base interactions energy: -145.660
where: short stacking energy: -64.822
Base-Backbone interact. energy: -0.009
local terms energy: -76.665177
where:
bonds (distance) C4'-P energy: -10.157
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -14.115
tors. eta vs tors. theta energy: -19.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -222.698079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.698079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.698079 (E_RNA)
where:
Base-Base interactions energy: -148.186
where: short stacking energy: -69.785
Base-Backbone interact. energy: 0.044
local terms energy: -74.556617
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -20.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -193.367600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.367600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.367600 (E_RNA)
where:
Base-Base interactions energy: -120.000
where: short stacking energy: -55.970
Base-Backbone interact. energy: -0.094
local terms energy: -73.273592
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -17.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -202.181824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.181824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.181824 (E_RNA)
where:
Base-Base interactions energy: -137.391
where: short stacking energy: -59.129
Base-Backbone interact. energy: -0.158
local terms energy: -64.631923
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -12.315
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -16.130
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: 8
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -130.325365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.325365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.325365 (E_RNA)
where:
Base-Base interactions energy: -75.159
where: short stacking energy: -30.293
Base-Backbone interact. energy: 0.644
local terms energy: -55.810248
where:
bonds (distance) C4'-P energy: -10.447
bonds (distance) P-C4' energy: -11.030
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -4.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -89.015027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.015027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.015027 (E_RNA)
where:
Base-Base interactions energy: -35.596
where: short stacking energy: -27.553
Base-Backbone interact. energy: -0.275
local terms energy: -53.143077
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: -4.081
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: 379
Temperature: 1.250000
Total energy: -77.166605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.166605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.166605 (E_RNA)
where:
Base-Base interactions energy: -29.805
where: short stacking energy: -21.377
Base-Backbone interact. energy: -0.310
local terms energy: -47.050833
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -9.322
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -0.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -73.627837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.627837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.627837 (E_RNA)
where:
Base-Base interactions energy: -27.760
where: short stacking energy: -27.447
Base-Backbone interact. energy: -0.319
local terms energy: -45.548410
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -11.054
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -5.314
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: 10, replica: 6
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -79.867331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.867331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.867331 (E_RNA)
where:
Base-Base interactions energy: -35.475
where: short stacking energy: -25.850
Base-Backbone interact. energy: -0.230
local terms energy: -44.162471
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -6.466
flat angles P-C4'-P energy: -2.677
tors. eta vs tors. theta energy: -6.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -230.407410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.407410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.407410 (E_RNA)
where:
Base-Base interactions energy: -151.333
where: short stacking energy: -77.370
Base-Backbone interact. energy: -0.001
local terms energy: -79.073419
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -18.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -213.912413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.912413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.912413 (E_RNA)
where:
Base-Base interactions energy: -139.838
where: short stacking energy: -70.571
Base-Backbone interact. energy: -0.004
local terms energy: -74.071056
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -17.183
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -22.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -210.979084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.979084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.979084 (E_RNA)
where:
Base-Base interactions energy: -139.640
where: short stacking energy: -68.521
Base-Backbone interact. energy: -0.009
local terms energy: -71.330434
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: -20.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -215.870192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.870192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.870192 (E_RNA)
where:
Base-Base interactions energy: -141.306
where: short stacking energy: -63.220
Base-Backbone interact. energy: -0.043
local terms energy: -74.521761
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -17.790
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: 4
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -196.361336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.361336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.361336 (E_RNA)
where:
Base-Base interactions energy: -124.534
where: short stacking energy: -58.646
Base-Backbone interact. energy: -0.531
local terms energy: -71.295931
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -18.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -118.671446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.671446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.671446 (E_RNA)
where:
Base-Base interactions energy: -67.593
where: short stacking energy: -38.681
Base-Backbone interact. energy: -0.131
local terms energy: -50.947430
where:
bonds (distance) C4'-P energy: -9.412
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -8.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -95.212143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.212143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.212143 (E_RNA)
where:
Base-Base interactions energy: -31.871
where: short stacking energy: -31.844
Base-Backbone interact. energy: -0.083
local terms energy: -63.258994
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -11.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -92.861349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.861349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.861349 (E_RNA)
where:
Base-Base interactions energy: -54.475
where: short stacking energy: -21.340
Base-Backbone interact. energy: -0.924
local terms energy: -37.462438
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -8.530
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: 8.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -89.781221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.781221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.781221 (E_RNA)
where:
Base-Base interactions energy: -39.156
where: short stacking energy: -34.021
Base-Backbone interact. energy: -0.205
local terms energy: -50.419892
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -9.422
flat angles C4'-P-C4' energy: -18.606
flat angles P-C4'-P energy: -5.057
tors. eta vs tors. theta energy: -5.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -84.386567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.386567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.386567 (E_RNA)
where:
Base-Base interactions energy: -32.882
where: short stacking energy: -32.882
Base-Backbone interact. energy: -0.249
local terms energy: -51.255614
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -4.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -222.248461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.248461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.248461 (E_RNA)
where:
Base-Base interactions energy: -143.411
where: short stacking energy: -64.969
Base-Backbone interact. energy: -0.002
local terms energy: -78.835682
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -21.247
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: 2, replica: 5
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -214.679526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.679526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.679526 (E_RNA)
where:
Base-Base interactions energy: -147.205
where: short stacking energy: -57.688
Base-Backbone interact. energy: 0.751
local terms energy: -68.224817
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -17.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -216.829654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.829654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.829654 (E_RNA)
where:
Base-Base interactions energy: -147.726
where: short stacking energy: -61.126
Base-Backbone interact. energy: 0.744
local terms energy: -69.848404
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -14.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -207.569219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.569219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.569219 (E_RNA)
where:
Base-Base interactions energy: -146.508
where: short stacking energy: -61.778
Base-Backbone interact. energy: -0.072
local terms energy: -60.989191
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -10.664
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -2.236
tors. eta vs tors. theta energy: -19.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -214.073632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.073632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.073632 (E_RNA)
where:
Base-Base interactions energy: -144.190
where: short stacking energy: -66.339
Base-Backbone interact. energy: -0.070
local terms energy: -69.814274
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -18.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -111.370731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.370731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.370731 (E_RNA)
where:
Base-Base interactions energy: -59.536
where: short stacking energy: -29.323
Base-Backbone interact. energy: 1.011
local terms energy: -52.845676
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -7.068
tors. eta vs tors. theta energy: -3.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -80.650285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.650285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.650285 (E_RNA)
where:
Base-Base interactions energy: -31.750
where: short stacking energy: -22.018
Base-Backbone interact. energy: -0.170
local terms energy: -48.730227
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -5.704
tors. eta vs tors. theta energy: -1.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -88.293505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.293505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.293505 (E_RNA)
where:
Base-Base interactions energy: -35.354
where: short stacking energy: -33.648
Base-Backbone interact. energy: -0.540
local terms energy: -52.398970
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -11.052
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -5.685
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: 9, replica: 6
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -71.294618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.294618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.294618 (E_RNA)
where:
Base-Base interactions energy: -23.679
where: short stacking energy: -18.305
Base-Backbone interact. energy: -0.468
local terms energy: -47.147865
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -7.981
flat angles P-C4'-P energy: -5.707
tors. eta vs tors. theta energy: -2.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -76.387694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.387694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.387694 (E_RNA)
where:
Base-Base interactions energy: -22.634
where: short stacking energy: -17.730
Base-Backbone interact. energy: 0.369
local terms energy: -54.123243
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -8.401
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -5.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -227.372965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.372965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.372965 (E_RNA)
where:
Base-Base interactions energy: -147.370
where: short stacking energy: -69.244
Base-Backbone interact. energy: -0.042
local terms energy: -79.960990
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -20.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -213.582701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.582701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.582701 (E_RNA)
where:
Base-Base interactions energy: -145.099
where: short stacking energy: -64.035
Base-Backbone interact. energy: -0.148
local terms energy: -68.336383
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -11.892
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -17.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -212.927025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.927025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.927025 (E_RNA)
where:
Base-Base interactions energy: -137.230
where: short stacking energy: -63.601
Base-Backbone interact. energy: -0.011
local terms energy: -75.685501
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -19.152
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: 7
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -213.533971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.533971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.533971 (E_RNA)
where:
Base-Base interactions energy: -142.812
where: short stacking energy: -71.363
Base-Backbone interact. energy: 2.507
local terms energy: -73.229108
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -18.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -209.922575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.922575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.922575 (E_RNA)
where:
Base-Base interactions energy: -138.081
where: short stacking energy: -64.367
Base-Backbone interact. energy: -0.077
local terms energy: -71.764887
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -17.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -100.780938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.780938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.780938 (E_RNA)
where:
Base-Base interactions energy: -50.790
where: short stacking energy: -27.222
Base-Backbone interact. energy: -0.087
local terms energy: -49.903415
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -5.660
tors. eta vs tors. theta energy: -1.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -106.741744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.741744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.741744 (E_RNA)
where:
Base-Base interactions energy: -41.924
where: short stacking energy: -37.577
Base-Backbone interact. energy: -0.351
local terms energy: -64.466740
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -6.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -79.522152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.522152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.522152 (E_RNA)
where:
Base-Base interactions energy: -28.894
where: short stacking energy: -23.278
Base-Backbone interact. energy: -0.194
local terms energy: -50.433896
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -5.596
tors. eta vs tors. theta energy: -1.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -77.627770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.627770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.627770 (E_RNA)
where:
Base-Base interactions energy: -34.252
where: short stacking energy: -33.379
Base-Backbone interact. energy: -0.062
local terms energy: -43.313531
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -8.950
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -3.430
tors. eta vs tors. theta energy: -2.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -69.842851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.842851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.842851 (E_RNA)
where:
Base-Base interactions energy: -26.130
where: short stacking energy: -18.284
Base-Backbone interact. energy: -0.442
local terms energy: -43.270329
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -3.333
tors. eta vs tors. theta energy: 1.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -219.883698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.883698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.883698 (E_RNA)
where:
Base-Base interactions energy: -141.966
where: short stacking energy: -64.811
Base-Backbone interact. energy: -0.053
local terms energy: -77.864779
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -21.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -215.378997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.378997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.378997 (E_RNA)
where:
Base-Base interactions energy: -140.848
where: short stacking energy: -63.331
Base-Backbone interact. energy: -0.087
local terms energy: -74.443826
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -21.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -211.390740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.390740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.390740 (E_RNA)
where:
Base-Base interactions energy: -132.369
where: short stacking energy: -61.152
Base-Backbone interact. energy: -0.013
local terms energy: -79.008901
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -20.870
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: 7
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -211.726327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.726327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.726327 (E_RNA)
where:
Base-Base interactions energy: -142.319
where: short stacking energy: -62.627
Base-Backbone interact. energy: -0.087
local terms energy: -69.320442
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: -17.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -209.682480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.682480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.682480 (E_RNA)
where:
Base-Base interactions energy: -136.907
where: short stacking energy: -64.155
Base-Backbone interact. energy: -0.002
local terms energy: -72.773745
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -6.800
tors. eta vs tors. theta energy: -20.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -104.365693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.365693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.365693 (E_RNA)
where:
Base-Base interactions energy: -49.283
where: short stacking energy: -27.615
Base-Backbone interact. energy: -0.034
local terms energy: -55.049304
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -0.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -124.950489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.950489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.950489 (E_RNA)
where:
Base-Base interactions energy: -65.430
where: short stacking energy: -31.908
Base-Backbone interact. energy: -0.058
local terms energy: -59.462005
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -7.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -80.103432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.103432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.103432 (E_RNA)
where:
Base-Base interactions energy: -35.361
where: short stacking energy: -33.930
Base-Backbone interact. energy: 0.166
local terms energy: -44.908959
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -3.944
tors. eta vs tors. theta energy: -3.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -82.498568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.498568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.498568 (E_RNA)
where:
Base-Base interactions energy: -27.855
where: short stacking energy: -24.090
Base-Backbone interact. energy: -0.093
local terms energy: -54.550461
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -10.628
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: -7.944
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: 6
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -84.398099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.398099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.398099 (E_RNA)
where:
Base-Base interactions energy: -33.987
where: short stacking energy: -33.987
Base-Backbone interact. energy: -0.022
local terms energy: -50.388977
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -7.429
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -6.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -225.976641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.976641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.976641 (E_RNA)
where:
Base-Base interactions energy: -149.399
where: short stacking energy: -66.674
Base-Backbone interact. energy: -0.002
local terms energy: -76.576378
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -20.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -221.144588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.144588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.144588 (E_RNA)
where:
Base-Base interactions energy: -147.883
where: short stacking energy: -67.844
Base-Backbone interact. energy: -0.026
local terms energy: -73.235920
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -19.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -208.978106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.978106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.978106 (E_RNA)
where:
Base-Base interactions energy: -134.058
where: short stacking energy: -61.645
Base-Backbone interact. energy: -0.577
local terms energy: -74.342520
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -19.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -206.643498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.643498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.643498 (E_RNA)
where:
Base-Base interactions energy: -127.879
where: short stacking energy: -51.623
Base-Backbone interact. energy: -0.002
local terms energy: -78.762106
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -21.455
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: 4
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -200.202272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.202272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.202272 (E_RNA)
where:
Base-Base interactions energy: -135.030
where: short stacking energy: -65.839
Base-Backbone interact. energy: -0.061
local terms energy: -65.111509
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -10.350
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -18.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -117.312766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.312766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.312766 (E_RNA)
where:
Base-Base interactions energy: -61.319
where: short stacking energy: -35.539
Base-Backbone interact. energy: -0.152
local terms energy: -55.841582
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -10.854
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -9.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -91.113563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.113563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.113563 (E_RNA)
where:
Base-Base interactions energy: -37.296
where: short stacking energy: -36.142
Base-Backbone interact. energy: -0.663
local terms energy: -53.154563
where:
bonds (distance) C4'-P energy: -10.073
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -5.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -116.848012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.848012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.848012 (E_RNA)
where:
Base-Base interactions energy: -68.704
where: short stacking energy: -30.270
Base-Backbone interact. energy: 5.976
local terms energy: -54.119669
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -5.882
tors. eta vs tors. theta energy: -4.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -83.990404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.990404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.990404 (E_RNA)
where:
Base-Base interactions energy: -27.302
where: short stacking energy: -25.497
Base-Backbone interact. energy: -0.099
local terms energy: -56.588975
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -7.876
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: 10, replica: 8
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -82.921148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.921148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.921148 (E_RNA)
where:
Base-Base interactions energy: -30.099
where: short stacking energy: -12.911
Base-Backbone interact. energy: -0.154
local terms energy: -52.667987
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: 1.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -222.549678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.549678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.549678 (E_RNA)
where:
Base-Base interactions energy: -145.111
where: short stacking energy: -68.021
Base-Backbone interact. energy: -0.168
local terms energy: -77.270502
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -19.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -222.828048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.828048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.828048 (E_RNA)
where:
Base-Base interactions energy: -152.085
where: short stacking energy: -68.896
Base-Backbone interact. energy: -0.008
local terms energy: -70.734805
where:
bonds (distance) C4'-P energy: -11.125
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -20.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -221.219963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.219963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.219963 (E_RNA)
where:
Base-Base interactions energy: -148.895
where: short stacking energy: -66.943
Base-Backbone interact. energy: -0.091
local terms energy: -72.233909
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -20.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -215.410140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.410140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.410140 (E_RNA)
where:
Base-Base interactions energy: -144.278
where: short stacking energy: -62.057
Base-Backbone interact. energy: -0.186
local terms energy: -70.946164
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -5.499
tors. eta vs tors. theta energy: -21.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -194.943351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.943351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.943351 (E_RNA)
where:
Base-Base interactions energy: -129.476
where: short stacking energy: -65.438
Base-Backbone interact. energy: -0.026
local terms energy: -65.441567
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -18.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -93.881131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.881131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.881131 (E_RNA)
where:
Base-Base interactions energy: -39.162
where: short stacking energy: -38.430
Base-Backbone interact. energy: -0.001
local terms energy: -54.718036
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -6.218
tors. eta vs tors. theta energy: -9.390
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: 9
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -86.868364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.868364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.868364 (E_RNA)
where:
Base-Base interactions energy: -28.006
where: short stacking energy: -18.670
Base-Backbone interact. energy: -0.210
local terms energy: -58.652758
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -4.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -110.258601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.258601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.258601 (E_RNA)
where:
Base-Base interactions energy: -49.401
where: short stacking energy: -30.468
Base-Backbone interact. energy: -0.106
local terms energy: -60.751240
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -10.340
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -12.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -72.905186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.905186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.905186 (E_RNA)
where:
Base-Base interactions energy: -22.232
where: short stacking energy: -18.049
Base-Backbone interact. energy: -1.242
local terms energy: -49.431941
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: 2.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -81.010430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.010430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.010430 (E_RNA)
where:
Base-Base interactions energy: -23.923
where: short stacking energy: -23.923
Base-Backbone interact. energy: -0.141
local terms energy: -56.945678
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -6.627
tors. eta vs tors. theta energy: -5.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -220.732417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.732417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.732417 (E_RNA)
where:
Base-Base interactions energy: -138.494
where: short stacking energy: -69.974
Base-Backbone interact. energy: -0.028
local terms energy: -82.210401
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -20.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -220.692618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.692618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.692618 (E_RNA)
where:
Base-Base interactions energy: -152.528
where: short stacking energy: -61.265
Base-Backbone interact. energy: 0.776
local terms energy: -68.940508
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -16.643
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: 2
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -214.985098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.985098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.985098 (E_RNA)
where:
Base-Base interactions energy: -142.613
where: short stacking energy: -69.256
Base-Backbone interact. energy: -0.059
local terms energy: -72.313110
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -17.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -196.639953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.639953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.639953 (E_RNA)
where:
Base-Base interactions energy: -123.000
where: short stacking energy: -58.375
Base-Backbone interact. energy: -0.026
local terms energy: -73.613457
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -17.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -204.052938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.052938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.052938 (E_RNA)
where:
Base-Base interactions energy: -141.646
where: short stacking energy: -58.983
Base-Backbone interact. energy: -0.358
local terms energy: -62.049725
where:
bonds (distance) C4'-P energy: -6.543
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -18.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -86.027943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.027943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.027943 (E_RNA)
where:
Base-Base interactions energy: -32.294
where: short stacking energy: -32.294
Base-Backbone interact. energy: -0.120
local terms energy: -53.614096
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -10.378
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -4.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -93.452896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.452896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.452896 (E_RNA)
where:
Base-Base interactions energy: -39.826
where: short stacking energy: -29.701
Base-Backbone interact. energy: -0.298
local terms energy: -53.328608
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -2.330
tors. eta vs tors. theta energy: -6.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -80.586802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.586802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.586802 (E_RNA)
where:
Base-Base interactions energy: -33.727
where: short stacking energy: -25.025
Base-Backbone interact. energy: 1.701
local terms energy: -48.561421
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -3.510
tors. eta vs tors. theta energy: 1.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -74.411228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.411228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.411228 (E_RNA)
where:
Base-Base interactions energy: -28.178
where: short stacking energy: -20.612
Base-Backbone interact. energy: -0.005
local terms energy: -46.228932
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -8.059
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: -4.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -74.676289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.676289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.676289 (E_RNA)
where:
Base-Base interactions energy: -24.175
where: short stacking energy: -23.950
Base-Backbone interact. energy: 0.518
local terms energy: -51.019642
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -8.438
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -4.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -235.376065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.376065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.376065 (E_RNA)
where:
Base-Base interactions energy: -159.634
where: short stacking energy: -69.493
Base-Backbone interact. energy: -0.006
local terms energy: -75.736636
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -19.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -221.634887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.634887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.634887 (E_RNA)
where:
Base-Base interactions energy: -145.206
where: short stacking energy: -66.900
Base-Backbone interact. energy: -0.086
local terms energy: -76.342834
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -20.263
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: 3, replica: 5
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -213.749603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.749603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.749603 (E_RNA)
where:
Base-Base interactions energy: -140.999
where: short stacking energy: -72.674
Base-Backbone interact. energy: -0.011
local terms energy: -72.740395
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -19.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -196.924753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.924753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.924753 (E_RNA)
where:
Base-Base interactions energy: -129.522
where: short stacking energy: -62.150
Base-Backbone interact. energy: -0.199
local terms energy: -67.203623
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -16.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -199.908136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.908136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.908136 (E_RNA)
where:
Base-Base interactions energy: -136.339
where: short stacking energy: -56.389
Base-Backbone interact. energy: -0.326
local terms energy: -63.244005
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -5.024
tors. eta vs tors. theta energy: -18.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -101.064010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.064010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.064010 (E_RNA)
where:
Base-Base interactions energy: -40.819
where: short stacking energy: -26.904
Base-Backbone interact. energy: -0.100
local terms energy: -60.144932
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -5.881
tors. eta vs tors. theta energy: -7.930
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: 10
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -91.726595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.726595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.726595 (E_RNA)
where:
Base-Base interactions energy: -39.943
where: short stacking energy: -39.943
Base-Backbone interact. energy: -0.121
local terms energy: -51.662321
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -6.800
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -9.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -82.709352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.709352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.709352 (E_RNA)
where:
Base-Base interactions energy: -37.242
where: short stacking energy: -34.749
Base-Backbone interact. energy: -0.618
local terms energy: -44.849553
where:
bonds (distance) C4'-P energy: -7.158
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -9.104
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -6.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -83.553545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.553545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.553545 (E_RNA)
where:
Base-Base interactions energy: -38.302
where: short stacking energy: -16.002
Base-Backbone interact. energy: -0.309
local terms energy: -44.942526
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -9.959
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: 2.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -80.716826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.716826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.716826 (E_RNA)
where:
Base-Base interactions energy: -30.940
where: short stacking energy: -28.993
Base-Backbone interact. energy: -0.076
local terms energy: -49.700197
where:
bonds (distance) C4'-P energy: -8.137
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -3.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -230.044890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.044890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.044890 (E_RNA)
where:
Base-Base interactions energy: -148.795
where: short stacking energy: -70.441
Base-Backbone interact. energy: -0.002
local terms energy: -81.247907
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -22.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -223.813639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.813639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.813639 (E_RNA)
where:
Base-Base interactions energy: -149.918
where: short stacking energy: -64.873
Base-Backbone interact. energy: -0.233
local terms energy: -73.663014
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -9.474
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -18.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -207.383092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.383092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.383092 (E_RNA)
where:
Base-Base interactions energy: -139.276
where: short stacking energy: -60.515
Base-Backbone interact. energy: -0.042
local terms energy: -68.064689
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -15.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -210.765498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.765498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.765498 (E_RNA)
where:
Base-Base interactions energy: -138.271
where: short stacking energy: -62.031
Base-Backbone interact. energy: -0.039
local terms energy: -72.455233
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -20.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -191.083660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.083660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.083660 (E_RNA)
where:
Base-Base interactions energy: -120.926
where: short stacking energy: -64.404
Base-Backbone interact. energy: -0.002
local terms energy: -70.155654
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -17.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -91.831273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.831273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.831273 (E_RNA)
where:
Base-Base interactions energy: -43.607
where: short stacking energy: -37.625
Base-Backbone interact. energy: -0.308
local terms energy: -47.916538
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -4.586
tors. eta vs tors. theta energy: -5.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -83.286867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.286867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.286867 (E_RNA)
where:
Base-Base interactions energy: -32.039
where: short stacking energy: -31.742
Base-Backbone interact. energy: -0.021
local terms energy: -51.226971
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -5.509
tors. eta vs tors. theta energy: -2.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -91.536796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.536796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.536796 (E_RNA)
where:
Base-Base interactions energy: -38.076
where: short stacking energy: -34.211
Base-Backbone interact. energy: 0.256
local terms energy: -53.716961
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -7.999
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -8.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -82.877337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.877337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.877337 (E_RNA)
where:
Base-Base interactions energy: -33.061
where: short stacking energy: -25.326
Base-Backbone interact. energy: -0.198
local terms energy: -49.618161
where:
bonds (distance) C4'-P energy: -6.188
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -4.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -74.445484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.445484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.445484 (E_RNA)
where:
Base-Base interactions energy: -21.997
where: short stacking energy: -21.997
Base-Backbone interact. energy: 0.082
local terms energy: -52.530338
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: 2.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -223.811553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.811553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.811553 (E_RNA)
where:
Base-Base interactions energy: -147.786
where: short stacking energy: -58.666
Base-Backbone interact. energy: -0.001
local terms energy: -76.024624
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -15.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -220.417773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.417773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.417773 (E_RNA)
where:
Base-Base interactions energy: -150.024
where: short stacking energy: -61.332
Base-Backbone interact. energy: -0.056
local terms energy: -70.337354
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -18.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -216.978196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.978196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.978196 (E_RNA)
where:
Base-Base interactions energy: -143.284
where: short stacking energy: -62.236
Base-Backbone interact. energy: -0.102
local terms energy: -73.592830
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -18.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -200.857595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.857595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.857595 (E_RNA)
where:
Base-Base interactions energy: -134.960
where: short stacking energy: -56.523
Base-Backbone interact. energy: 1.693
local terms energy: -67.590593
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -5.129
tors. eta vs tors. theta energy: -19.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -194.731847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.731847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.731847 (E_RNA)
where:
Base-Base interactions energy: -123.362
where: short stacking energy: -54.386
Base-Backbone interact. energy: -0.006
local terms energy: -71.363297
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -17.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -95.564632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.564632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.564632 (E_RNA)
where:
Base-Base interactions energy: -41.119
where: short stacking energy: -39.356
Base-Backbone interact. energy: -0.001
local terms energy: -54.444547
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -11.261
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -3.832
tors. eta vs tors. theta energy: -7.147
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: 1
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -116.894536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.894536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.894536 (E_RNA)
where:
Base-Base interactions energy: -66.089
where: short stacking energy: -32.409
Base-Backbone interact. energy: -0.054
local terms energy: -50.751890
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -3.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -106.307132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.307132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.307132 (E_RNA)
where:
Base-Base interactions energy: -55.413
where: short stacking energy: -30.447
Base-Backbone interact. energy: -0.140
local terms energy: -50.753546
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -6.015
tors. eta vs tors. theta energy: -2.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -78.185910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.185910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.185910 (E_RNA)
where:
Base-Base interactions energy: -32.486
where: short stacking energy: -25.577
Base-Backbone interact. energy: -0.329
local terms energy: -45.370069
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: 1.031
tors. eta vs tors. theta energy: -5.067
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: 389
Temperature: 1.350000
Total energy: -78.580890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.580890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.580890 (E_RNA)
where:
Base-Base interactions energy: -27.077
where: short stacking energy: -22.720
Base-Backbone interact. energy: 0.367
local terms energy: -51.871093
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -6.105
tors. eta vs tors. theta energy: -3.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -222.265320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.265320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.265320 (E_RNA)
where:
Base-Base interactions energy: -141.943
where: short stacking energy: -64.524
Base-Backbone interact. energy: -0.056
local terms energy: -80.266011
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -14.890
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -219.046477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.046477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.046477 (E_RNA)
where:
Base-Base interactions energy: -143.594
where: short stacking energy: -65.959
Base-Backbone interact. energy: -0.026
local terms energy: -75.426350
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -16.962
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -20.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -204.277892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.277892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.277892 (E_RNA)
where:
Base-Base interactions energy: -132.011
where: short stacking energy: -64.868
Base-Backbone interact. energy: -0.717
local terms energy: -71.549666
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -18.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -212.852199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.852199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.852199 (E_RNA)
where:
Base-Base interactions energy: -146.123
where: short stacking energy: -58.911
Base-Backbone interact. energy: 1.172
local terms energy: -67.901226
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -16.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -192.578284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.578284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.578284 (E_RNA)
where:
Base-Base interactions energy: -125.485
where: short stacking energy: -56.076
Base-Backbone interact. energy: -0.121
local terms energy: -66.972304
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -13.816
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -14.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -117.914591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.914591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.914591 (E_RNA)
where:
Base-Base interactions energy: -52.028
where: short stacking energy: -34.275
Base-Backbone interact. energy: -3.297
local terms energy: -62.589369
where:
bonds (distance) C4'-P energy: -16.250
bonds (distance) P-C4' energy: -10.954
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: -12.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -124.482584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.482584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.482584 (E_RNA)
where:
Base-Base interactions energy: -69.856
where: short stacking energy: -43.008
Base-Backbone interact. energy: -0.052
local terms energy: -54.574338
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -5.879
tors. eta vs tors. theta energy: -9.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -101.160980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.160980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.160980 (E_RNA)
where:
Base-Base interactions energy: -43.821
where: short stacking energy: -19.309
Base-Backbone interact. energy: -0.043
local terms energy: -57.296739
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -1.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -73.262100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.262100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.262100 (E_RNA)
where:
Base-Base interactions energy: -21.228
where: short stacking energy: -17.728
Base-Backbone interact. energy: -0.361
local terms energy: -51.673891
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -7.851
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: 10
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -80.074709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.074709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.074709 (E_RNA)
where:
Base-Base interactions energy: -31.649
where: short stacking energy: -31.649
Base-Backbone interact. energy: -0.095
local terms energy: -48.331043
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -3.475
tors. eta vs tors. theta energy: -2.488
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: 4
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -218.286560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.286560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.286560 (E_RNA)
where:
Base-Base interactions energy: -144.171
where: short stacking energy: -67.115
Base-Backbone interact. energy: -0.009
local terms energy: -74.107116
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -17.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -215.392118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.392118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.392118 (E_RNA)
where:
Base-Base interactions energy: -140.387
where: short stacking energy: -71.640
Base-Backbone interact. energy: -0.057
local terms energy: -74.947776
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -21.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -217.287604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.287604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.287604 (E_RNA)
where:
Base-Base interactions energy: -146.241
where: short stacking energy: -56.042
Base-Backbone interact. energy: -0.363
local terms energy: -70.683073
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -20.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -205.521609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.521609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.521609 (E_RNA)
where:
Base-Base interactions energy: -126.010
where: short stacking energy: -63.295
Base-Backbone interact. energy: -0.001
local terms energy: -79.511073
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -21.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -201.058500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.058500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.058500 (E_RNA)
where:
Base-Base interactions energy: -133.581
where: short stacking energy: -62.882
Base-Backbone interact. energy: -0.002
local terms energy: -67.475869
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -5.824
tors. eta vs tors. theta energy: -19.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -146.079450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.079450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.079450 (E_RNA)
where:
Base-Base interactions energy: -80.841
where: short stacking energy: -46.832
Base-Backbone interact. energy: -0.044
local terms energy: -65.193737
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -14.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -94.473450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.473450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.473450 (E_RNA)
where:
Base-Base interactions energy: -46.573
where: short stacking energy: -39.237
Base-Backbone interact. energy: -0.336
local terms energy: -47.564287
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: 0.219
tors. eta vs tors. theta energy: -6.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -81.694447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.694447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.694447 (E_RNA)
where:
Base-Base interactions energy: -26.614
where: short stacking energy: -24.140
Base-Backbone interact. energy: -0.130
local terms energy: -54.950917
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -3.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -80.266846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.266846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.266846 (E_RNA)
where:
Base-Base interactions energy: -25.970
where: short stacking energy: -24.380
Base-Backbone interact. energy: -0.020
local terms energy: -54.277199
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -4.104
tors. eta vs tors. theta energy: -6.613
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: 10
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -76.287142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.287142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.287142 (E_RNA)
where:
Base-Base interactions energy: -29.350
where: short stacking energy: -23.869
Base-Backbone interact. energy: -0.063
local terms energy: -46.873426
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: 0.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -225.095268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.095268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.095268 (E_RNA)
where:
Base-Base interactions energy: -151.674
where: short stacking energy: -67.566
Base-Backbone interact. energy: -0.016
local terms energy: -73.405175
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -18.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -213.008581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.008581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.008581 (E_RNA)
where:
Base-Base interactions energy: -146.148
where: short stacking energy: -62.957
Base-Backbone interact. energy: 0.996
local terms energy: -67.857137
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -18.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -209.079436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.079436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.079436 (E_RNA)
where:
Base-Base interactions energy: -136.610
where: short stacking energy: -65.898
Base-Backbone interact. energy: -0.039
local terms energy: -72.430991
where:
bonds (distance) C4'-P energy: -18.350
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -16.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -206.872278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.872278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.872278 (E_RNA)
where:
Base-Base interactions energy: -137.298
where: short stacking energy: -59.976
Base-Backbone interact. energy: -0.006
local terms energy: -69.568193
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -16.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -203.161727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.161727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.161727 (E_RNA)
where:
Base-Base interactions energy: -137.639
where: short stacking energy: -60.511
Base-Backbone interact. energy: -0.043
local terms energy: -65.479769
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -18.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -136.964348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.964348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.964348 (E_RNA)
where:
Base-Base interactions energy: -69.960
where: short stacking energy: -43.651
Base-Backbone interact. energy: -0.009
local terms energy: -66.994974
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -10.001
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: 9
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -86.505662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.505662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.505662 (E_RNA)
where:
Base-Base interactions energy: -36.395
where: short stacking energy: -35.881
Base-Backbone interact. energy: -0.085
local terms energy: -50.025936
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -9.873
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -4.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -81.099915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.099915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.099915 (E_RNA)
where:
Base-Base interactions energy: -37.146
where: short stacking energy: -27.784
Base-Backbone interact. energy: 0.095
local terms energy: -44.049149
where:
bonds (distance) C4'-P energy: -9.553
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -4.450
tors. eta vs tors. theta energy: -2.925
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: 9, replica: 10
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -102.034958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.034958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.034958 (E_RNA)
where:
Base-Base interactions energy: -40.098
where: short stacking energy: -33.729
Base-Backbone interact. energy: -0.148
local terms energy: -61.788409
where:
bonds (distance) C4'-P energy: -16.038
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -9.929
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -9.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -71.798528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.798528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.798528 (E_RNA)
where:
Base-Base interactions energy: -19.945
where: short stacking energy: -14.568
Base-Backbone interact. energy: -0.075
local terms energy: -51.778130
where:
bonds (distance) C4'-P energy: -5.349
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -3.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -225.287727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.287727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.287727 (E_RNA)
where:
Base-Base interactions energy: -151.527
where: short stacking energy: -71.280
Base-Backbone interact. energy: 1.195
local terms energy: -74.956358
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -18.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -203.630624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.630624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.630624 (E_RNA)
where:
Base-Base interactions energy: -125.381
where: short stacking energy: -56.213
Base-Backbone interact. energy: -0.529
local terms energy: -77.721040
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -18.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -221.976953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.976953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.976953 (E_RNA)
where:
Base-Base interactions energy: -151.101
where: short stacking energy: -70.554
Base-Backbone interact. energy: -0.014
local terms energy: -70.862164
where:
bonds (distance) C4'-P energy: -8.581
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -18.285
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -19.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -214.835224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.835224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.835224 (E_RNA)
where:
Base-Base interactions energy: -147.508
where: short stacking energy: -66.583
Base-Backbone interact. energy: -0.353
local terms energy: -66.974544
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -12.206
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -17.320
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: 393
Temperature: 1.100000
Total energy: -214.489863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.489863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.489863 (E_RNA)
where:
Base-Base interactions energy: -134.075
where: short stacking energy: -60.142
Base-Backbone interact. energy: -0.038
local terms energy: -80.377274
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -18.392
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -22.133
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: 6, replica: 1
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -115.036848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.036848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.036848 (E_RNA)
where:
Base-Base interactions energy: -58.814
where: short stacking energy: -32.947
Base-Backbone interact. energy: -0.204
local terms energy: -56.018986
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -3.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -87.162018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.162018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.162018 (E_RNA)
where:
Base-Base interactions energy: -30.780
where: short stacking energy: -16.814
Base-Backbone interact. energy: -0.369
local terms energy: -56.013308
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -1.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -89.506036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.506036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.506036 (E_RNA)
where:
Base-Base interactions energy: -35.091
where: short stacking energy: -35.091
Base-Backbone interact. energy: -0.045
local terms energy: -54.370420
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -4.003
tors. eta vs tors. theta energy: -7.818
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: 9, replica: 10
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -86.297155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.297155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.297155 (E_RNA)
where:
Base-Base interactions energy: -39.312
where: short stacking energy: -17.107
Base-Backbone interact. energy: -0.783
local terms energy: -46.202086
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: 1.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -74.798350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.798350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.798350 (E_RNA)
where:
Base-Base interactions energy: -28.948
where: short stacking energy: -23.253
Base-Backbone interact. energy: -0.134
local terms energy: -45.716265
where:
bonds (distance) C4'-P energy: -9.482
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -5.879
tors. eta vs tors. theta energy: -2.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -222.394752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.394752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.394752 (E_RNA)
where:
Base-Base interactions energy: -146.131
where: short stacking energy: -70.715
Base-Backbone interact. energy: -0.001
local terms energy: -76.262976
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -21.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -225.779793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.779793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.779793 (E_RNA)
where:
Base-Base interactions energy: -152.645
where: short stacking energy: -69.246
Base-Backbone interact. energy: 0.013
local terms energy: -73.147971
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -19.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -217.393186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.393186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.393186 (E_RNA)
where:
Base-Base interactions energy: -145.479
where: short stacking energy: -62.840
Base-Backbone interact. energy: -0.153
local terms energy: -71.761719
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -16.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -206.486200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.486200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.486200 (E_RNA)
where:
Base-Base interactions energy: -133.696
where: short stacking energy: -61.570
Base-Backbone interact. energy: -0.108
local terms energy: -72.682409
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -17.732
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: 5, replica: 7
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -206.521637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.521637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.521637 (E_RNA)
where:
Base-Base interactions energy: -135.284
where: short stacking energy: -63.451
Base-Backbone interact. energy: -0.002
local terms energy: -71.236449
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -9.555
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -18.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -121.688150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.688150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.688150 (E_RNA)
where:
Base-Base interactions energy: -71.665
where: short stacking energy: -44.633
Base-Backbone interact. energy: 1.752
local terms energy: -51.775425
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -6.834
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: 394
Temperature: 1.200000
Total energy: -106.991939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.991939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.991939 (E_RNA)
where:
Base-Base interactions energy: -43.634
where: short stacking energy: -23.727
Base-Backbone interact. energy: -0.264
local terms energy: -63.093870
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -4.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -79.606238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.606238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.606238 (E_RNA)
where:
Base-Base interactions energy: -31.646
where: short stacking energy: -27.087
Base-Backbone interact. energy: -0.375
local terms energy: -47.584799
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -10.235
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: 0.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -92.552530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.552530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.552530 (E_RNA)
where:
Base-Base interactions energy: -41.049
where: short stacking energy: -38.824
Base-Backbone interact. energy: -0.100
local terms energy: -51.403747
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -8.215
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -7.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -69.527567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.527567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.527567 (E_RNA)
where:
Base-Base interactions energy: -18.256
where: short stacking energy: -17.066
Base-Backbone interact. energy: -0.019
local terms energy: -51.251992
where:
bonds (distance) C4'-P energy: -8.351
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -5.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -239.773031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.773031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.773031 (E_RNA)
where:
Base-Base interactions energy: -160.675
where: short stacking energy: -67.151
Base-Backbone interact. energy: -0.101
local terms energy: -78.997597
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -20.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -218.887563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.887563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.887563 (E_RNA)
where:
Base-Base interactions energy: -156.042
where: short stacking energy: -62.433
Base-Backbone interact. energy: -0.032
local terms energy: -62.813786
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -10.514
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -18.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -207.998671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.998671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.998671 (E_RNA)
where:
Base-Base interactions energy: -135.689
where: short stacking energy: -69.186
Base-Backbone interact. energy: -0.008
local terms energy: -72.301827
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -13.266
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -19.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -219.999328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.999328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.999328 (E_RNA)
where:
Base-Base interactions energy: -142.572
where: short stacking energy: -64.630
Base-Backbone interact. energy: -0.023
local terms energy: -77.404435
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -19.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -196.634843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.634843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.634843 (E_RNA)
where:
Base-Base interactions energy: -117.864
where: short stacking energy: -60.989
Base-Backbone interact. energy: -0.077
local terms energy: -78.693365
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -19.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -124.752176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.752176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.752176 (E_RNA)
where:
Base-Base interactions energy: -65.578
where: short stacking energy: -38.082
Base-Backbone interact. energy: -0.017
local terms energy: -59.156716
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -8.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -113.336414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.336414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.336414 (E_RNA)
where:
Base-Base interactions energy: -60.026
where: short stacking energy: -34.029
Base-Backbone interact. energy: -0.028
local terms energy: -53.282297
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -11.481
flat angles C4'-P-C4' energy: -8.589
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -8.424
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: 10
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -111.292808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.292808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.292808 (E_RNA)
where:
Base-Base interactions energy: -59.956
where: short stacking energy: -33.387
Base-Backbone interact. energy: -0.210
local terms energy: -51.126589
where:
bonds (distance) C4'-P energy: -9.934
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -5.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -73.038658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.038658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.038658 (E_RNA)
where:
Base-Base interactions energy: -28.373
where: short stacking energy: -21.932
Base-Backbone interact. energy: -0.154
local terms energy: -44.511413
where:
bonds (distance) C4'-P energy: -10.112
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -6.390
tors. eta vs tors. theta energy: -0.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -69.424487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.424487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.424487 (E_RNA)
where:
Base-Base interactions energy: -30.472
where: short stacking energy: -25.047
Base-Backbone interact. energy: -0.079
local terms energy: -38.874002
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -6.317
flat angles P-C4'-P energy: -3.720
tors. eta vs tors. theta energy: -2.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -226.916466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.916466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.916466 (E_RNA)
where:
Base-Base interactions energy: -151.467
where: short stacking energy: -61.184
Base-Backbone interact. energy: 0.054
local terms energy: -75.502681
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -16.187
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -17.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -225.719644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.719644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.719644 (E_RNA)
where:
Base-Base interactions energy: -150.830
where: short stacking energy: -64.601
Base-Backbone interact. energy: -0.095
local terms energy: -74.794717
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -21.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -215.133673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.133673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.133673 (E_RNA)
where:
Base-Base interactions energy: -140.454
where: short stacking energy: -65.033
Base-Backbone interact. energy: -0.001
local terms energy: -74.678595
where:
bonds (distance) C4'-P energy: -16.835
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -20.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -224.645656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.645656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.645656 (E_RNA)
where:
Base-Base interactions energy: -146.761
where: short stacking energy: -65.623
Base-Backbone interact. energy: -0.044
local terms energy: -77.840751
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -17.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -201.299490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.299490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.299490 (E_RNA)
where:
Base-Base interactions energy: -125.621
where: short stacking energy: -61.460
Base-Backbone interact. energy: -0.332
local terms energy: -75.347166
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -18.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -135.253414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.253414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.253414 (E_RNA)
where:
Base-Base interactions energy: -81.248
where: short stacking energy: -29.034
Base-Backbone interact. energy: 0.208
local terms energy: -54.213233
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: -8.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -129.460326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.460326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.460326 (E_RNA)
where:
Base-Base interactions energy: -71.178
where: short stacking energy: -17.967
Base-Backbone interact. energy: -0.170
local terms energy: -58.112268
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -3.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -77.703901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.703901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.703901 (E_RNA)
where:
Base-Base interactions energy: -38.287
where: short stacking energy: -34.053
Base-Backbone interact. energy: -0.240
local terms energy: -39.176649
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -7.868
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -4.178
tors. eta vs tors. theta energy: 0.103
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: 6
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -92.641868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.641868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.641868 (E_RNA)
where:
Base-Base interactions energy: -42.667
where: short stacking energy: -27.443
Base-Backbone interact. energy: -0.000
local terms energy: -49.974813
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -9.911
flat angles P-C4'-P energy: -5.971
tors. eta vs tors. theta energy: -1.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -74.056786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.056786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.056786 (E_RNA)
where:
Base-Base interactions energy: -26.071
where: short stacking energy: -24.164
Base-Backbone interact. energy: -0.095
local terms energy: -47.890570
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: 1.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -221.457400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.457400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.457400 (E_RNA)
where:
Base-Base interactions energy: -142.489
where: short stacking energy: -57.231
Base-Backbone interact. energy: -0.105
local terms energy: -78.863784
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -19.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -220.677065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.677065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.677065 (E_RNA)
where:
Base-Base interactions energy: -145.581
where: short stacking energy: -64.991
Base-Backbone interact. energy: -0.171
local terms energy: -74.924736
where:
bonds (distance) C4'-P energy: -10.815
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -20.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -223.301459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.301459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.301459 (E_RNA)
where:
Base-Base interactions energy: -148.929
where: short stacking energy: -69.213
Base-Backbone interact. energy: -0.031
local terms energy: -74.341720
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -18.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -225.058302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.058302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.058302 (E_RNA)
where:
Base-Base interactions energy: -147.988
where: short stacking energy: -67.559
Base-Backbone interact. energy: -0.103
local terms energy: -76.967039
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -21.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -205.342270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.342270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.342270 (E_RNA)
where:
Base-Base interactions energy: -130.886
where: short stacking energy: -63.720
Base-Backbone interact. energy: -0.010
local terms energy: -74.445876
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -19.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -109.817307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.817307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.817307 (E_RNA)
where:
Base-Base interactions energy: -60.300
where: short stacking energy: -29.195
Base-Backbone interact. energy: -0.257
local terms energy: -49.260086
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -10.709
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -2.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -96.324753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.324753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.324753 (E_RNA)
where:
Base-Base interactions energy: -38.518
where: short stacking energy: -27.040
Base-Backbone interact. energy: -0.114
local terms energy: -57.693224
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -0.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -80.713100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.713100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.713100 (E_RNA)
where:
Base-Base interactions energy: -29.184
where: short stacking energy: -26.768
Base-Backbone interact. energy: -0.755
local terms energy: -50.774144
where:
bonds (distance) C4'-P energy: -9.873
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -3.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -81.508114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.508114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.508114 (E_RNA)
where:
Base-Base interactions energy: -38.637
where: short stacking energy: -35.396
Base-Backbone interact. energy: -0.573
local terms energy: -42.297853
where:
bonds (distance) C4'-P energy: -8.320
bonds (distance) P-C4' energy: -10.380
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -4.728
tors. eta vs tors. theta energy: -5.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -85.012373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.012373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.012373 (E_RNA)
where:
Base-Base interactions energy: -34.658
where: short stacking energy: -34.470
Base-Backbone interact. energy: 0.248
local terms energy: -50.601674
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -12.216
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -5.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -224.118668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.118668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.118668 (E_RNA)
where:
Base-Base interactions energy: -149.815
where: short stacking energy: -64.147
Base-Backbone interact. energy: -0.024
local terms energy: -74.279463
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -17.537
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -21.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -217.867504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.867504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.867504 (E_RNA)
where:
Base-Base interactions energy: -142.648
where: short stacking energy: -61.578
Base-Backbone interact. energy: -0.095
local terms energy: -75.123992
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -18.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -219.395167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.395167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.395167 (E_RNA)
where:
Base-Base interactions energy: -148.949
where: short stacking energy: -67.411
Base-Backbone interact. energy: -0.127
local terms energy: -70.318916
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -19.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -217.630766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.630766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.630766 (E_RNA)
where:
Base-Base interactions energy: -139.780
where: short stacking energy: -64.596
Base-Backbone interact. energy: -0.065
local terms energy: -77.785813
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -22.110
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: 4
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -194.964509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.964509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.964509 (E_RNA)
where:
Base-Base interactions energy: -123.490
where: short stacking energy: -54.939
Base-Backbone interact. energy: -0.031
local terms energy: -71.443557
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -17.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -90.585743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.585743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.585743 (E_RNA)
where:
Base-Base interactions energy: -38.599
where: short stacking energy: -38.599
Base-Backbone interact. energy: -0.003
local terms energy: -51.983704
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -7.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -94.501841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.501841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.501841 (E_RNA)
where:
Base-Base interactions energy: -35.278
where: short stacking energy: -27.283
Base-Backbone interact. energy: -0.309
local terms energy: -58.915500
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -14.354
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -4.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -88.524336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.524336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.524336 (E_RNA)
where:
Base-Base interactions energy: -32.025
where: short stacking energy: -31.472
Base-Backbone interact. energy: -0.022
local terms energy: -56.477961
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: -8.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -76.053822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.053822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.053822 (E_RNA)
where:
Base-Base interactions energy: -23.530
where: short stacking energy: -17.744
Base-Backbone interact. energy: -1.817
local terms energy: -50.706829
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -1.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -89.498350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.498350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.498350 (E_RNA)
where:
Base-Base interactions energy: -31.088
where: short stacking energy: -31.088
Base-Backbone interact. energy: -0.287
local terms energy: -58.123017
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -6.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -217.503850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.503850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.503850 (E_RNA)
where:
Base-Base interactions energy: -141.813
where: short stacking energy: -59.942
Base-Backbone interact. energy: -0.119
local terms energy: -75.571827
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -19.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -226.722790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.722790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.722790 (E_RNA)
where:
Base-Base interactions energy: -155.792
where: short stacking energy: -69.929
Base-Backbone interact. energy: -0.018
local terms energy: -70.913062
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -18.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -210.133211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.133211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.133211 (E_RNA)
where:
Base-Base interactions energy: -138.803
where: short stacking energy: -62.608
Base-Backbone interact. energy: -0.242
local terms energy: -71.088148
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -17.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -208.262920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.262920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.262920 (E_RNA)
where:
Base-Base interactions energy: -136.613
where: short stacking energy: -60.259
Base-Backbone interact. energy: -0.020
local terms energy: -71.629462
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -19.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -207.751445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.751445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.751445 (E_RNA)
where:
Base-Base interactions energy: -139.338
where: short stacking energy: -64.367
Base-Backbone interact. energy: -0.008
local terms energy: -68.405464
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -10.373
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -20.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -96.227318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.227318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.227318 (E_RNA)
where:
Base-Base interactions energy: -37.468
where: short stacking energy: -35.975
Base-Backbone interact. energy: -0.063
local terms energy: -58.696940
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -6.245
tors. eta vs tors. theta energy: -10.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -85.386165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.386165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.386165 (E_RNA)
where:
Base-Base interactions energy: -35.649
where: short stacking energy: -35.566
Base-Backbone interact. energy: -0.076
local terms energy: -49.661381
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -7.419
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -5.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -82.629936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.629936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.629936 (E_RNA)
where:
Base-Base interactions energy: -29.650
where: short stacking energy: -22.707
Base-Backbone interact. energy: -1.350
local terms energy: -51.629664
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -8.928
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -3.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -82.409422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.409422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.409422 (E_RNA)
where:
Base-Base interactions energy: -30.523
where: short stacking energy: -30.523
Base-Backbone interact. energy: -0.505
local terms energy: -51.381912
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -10.002
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -7.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -85.460856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.460856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.460856 (E_RNA)
where:
Base-Base interactions energy: -31.724
where: short stacking energy: -28.834
Base-Backbone interact. energy: -0.157
local terms energy: -53.580019
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -5.723
tors. eta vs tors. theta energy: -4.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -231.101225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.101225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.101225 (E_RNA)
where:
Base-Base interactions energy: -151.901
where: short stacking energy: -75.670
Base-Backbone interact. energy: 0.387
local terms energy: -79.586632
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -19.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -222.387279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.387279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.387279 (E_RNA)
where:
Base-Base interactions energy: -147.066
where: short stacking energy: -69.951
Base-Backbone interact. energy: -0.060
local terms energy: -75.261105
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -22.592
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: 4
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -208.334868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.334868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.334868 (E_RNA)
where:
Base-Base interactions energy: -130.320
where: short stacking energy: -63.325
Base-Backbone interact. energy: -0.156
local terms energy: -77.858643
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -17.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -208.437825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.437825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.437825 (E_RNA)
where:
Base-Base interactions energy: -134.221
where: short stacking energy: -63.687
Base-Backbone interact. energy: 0.022
local terms energy: -74.239430
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -18.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -209.948655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.948655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.948655 (E_RNA)
where:
Base-Base interactions energy: -138.795
where: short stacking energy: -59.694
Base-Backbone interact. energy: -0.012
local terms energy: -71.141909
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -7.079
tors. eta vs tors. theta energy: -17.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -115.718347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.718347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.718347 (E_RNA)
where:
Base-Base interactions energy: -59.881
where: short stacking energy: -35.868
Base-Backbone interact. energy: -0.320
local terms energy: -55.517394
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -11.278
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -11.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -87.513237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.513237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.513237 (E_RNA)
where:
Base-Base interactions energy: -32.950
where: short stacking energy: -31.597
Base-Backbone interact. energy: -0.051
local terms energy: -54.512003
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -3.695
tors. eta vs tors. theta energy: -8.475
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: 10
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -105.646130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.646130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.646130 (E_RNA)
where:
Base-Base interactions energy: -51.719
where: short stacking energy: -26.726
Base-Backbone interact. energy: -0.316
local terms energy: -53.610772
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -2.638
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: 9, replica: 8
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -85.158017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.158017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.158017 (E_RNA)
where:
Base-Base interactions energy: -30.827
where: short stacking energy: -30.827
Base-Backbone interact. energy: -0.081
local terms energy: -54.250877
where:
bonds (distance) C4'-P energy: -11.136
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -6.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -69.163082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.163082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.163082 (E_RNA)
where:
Base-Base interactions energy: -21.781
where: short stacking energy: -18.917
Base-Backbone interact. energy: -0.206
local terms energy: -47.176798
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -3.577
tors. eta vs tors. theta energy: 2.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -223.538339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.538339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.538339 (E_RNA)
where:
Base-Base interactions energy: -151.934
where: short stacking energy: -63.944
Base-Backbone interact. energy: -0.004
local terms energy: -71.600549
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -15.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -219.047689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.047689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.047689 (E_RNA)
where:
Base-Base interactions energy: -148.760
where: short stacking energy: -69.784
Base-Backbone interact. energy: -0.385
local terms energy: -69.902325
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -11.152
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: -20.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -205.290661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.290661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.290661 (E_RNA)
where:
Base-Base interactions energy: -133.453
where: short stacking energy: -65.263
Base-Backbone interact. energy: -0.008
local terms energy: -71.830238
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -4.689
tors. eta vs tors. theta energy: -21.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -210.319812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.319812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.319812 (E_RNA)
where:
Base-Base interactions energy: -134.071
where: short stacking energy: -64.116
Base-Backbone interact. energy: -0.035
local terms energy: -76.213311
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -9.930
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: 5, replica: 2
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -189.695244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.695244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.695244 (E_RNA)
where:
Base-Base interactions energy: -136.380
where: short stacking energy: -54.289
Base-Backbone interact. energy: 0.057
local terms energy: -53.372123
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -6.621
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -2.645
tors. eta vs tors. theta energy: -14.356
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: 1
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -100.404469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.404469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.404469 (E_RNA)
where:
Base-Base interactions energy: -36.485
where: short stacking energy: -36.485
Base-Backbone interact. energy: -0.191
local terms energy: -63.729128
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -8.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -109.565956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.565956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.565956 (E_RNA)
where:
Base-Base interactions energy: -52.648
where: short stacking energy: -42.755
Base-Backbone interact. energy: -0.061
local terms energy: -56.856668
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -6.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -78.028650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.028650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.028650 (E_RNA)
where:
Base-Base interactions energy: -27.849
where: short stacking energy: -27.849
Base-Backbone interact. energy: -0.142
local terms energy: -50.037747
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -10.110
flat angles P-C4'-P energy: -4.563
tors. eta vs tors. theta energy: -5.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -90.765745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.765745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.765745 (E_RNA)
where:
Base-Base interactions energy: -48.200
where: short stacking energy: -27.683
Base-Backbone interact. energy: -0.757
local terms energy: -41.809194
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -7.001
flat angles P-C4'-P energy: 0.823
tors. eta vs tors. theta energy: -6.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -75.441187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.441187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.441187 (E_RNA)
where:
Base-Base interactions energy: -39.829
where: short stacking energy: -29.042
Base-Backbone interact. energy: -0.081
local terms energy: -35.531038
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -9.606
flat angles C4'-P-C4' energy: -6.609
flat angles P-C4'-P energy: -2.507
tors. eta vs tors. theta energy: -6.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -225.205610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.205610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.205610 (E_RNA)
where:
Base-Base interactions energy: -151.766
where: short stacking energy: -67.403
Base-Backbone interact. energy: -0.046
local terms energy: -73.393436
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -21.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -221.666130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.666130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.666130 (E_RNA)
where:
Base-Base interactions energy: -153.858
where: short stacking energy: -70.855
Base-Backbone interact. energy: 0.244
local terms energy: -68.052890
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -16.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -210.722386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.722386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.722386 (E_RNA)
where:
Base-Base interactions energy: -134.801
where: short stacking energy: -56.813
Base-Backbone interact. energy: -0.818
local terms energy: -75.102899
where:
bonds (distance) C4'-P energy: -16.471
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -17.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -204.458229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.458229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.458229 (E_RNA)
where:
Base-Base interactions energy: -134.135
where: short stacking energy: -71.313
Base-Backbone interact. energy: -0.003
local terms energy: -70.320211
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -10.443
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -19.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -201.733399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.733399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.733399 (E_RNA)
where:
Base-Base interactions energy: -131.186
where: short stacking energy: -56.526
Base-Backbone interact. energy: -0.002
local terms energy: -70.545507
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -18.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -97.143988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.143988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.143988 (E_RNA)
where:
Base-Base interactions energy: -37.303
where: short stacking energy: -27.899
Base-Backbone interact. energy: -0.085
local terms energy: -59.755690
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -4.262
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: 8
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -93.572445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.572445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.572445 (E_RNA)
where:
Base-Base interactions energy: -38.230
where: short stacking energy: -30.319
Base-Backbone interact. energy: -0.024
local terms energy: -55.318665
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -9.985
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -3.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -81.259713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.259713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.259713 (E_RNA)
where:
Base-Base interactions energy: -34.641
where: short stacking energy: -20.941
Base-Backbone interact. energy: -0.272
local terms energy: -46.347115
where:
bonds (distance) C4'-P energy: -9.165
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -1.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -77.062869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.062869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.062869 (E_RNA)
where:
Base-Base interactions energy: -32.959
where: short stacking energy: -29.947
Base-Backbone interact. energy: -0.097
local terms energy: -44.007273
where:
bonds (distance) C4'-P energy: -8.875
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -8.437
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -3.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -79.098075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.098075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.098075 (E_RNA)
where:
Base-Base interactions energy: -22.593
where: short stacking energy: -19.215
Base-Backbone interact. energy: -0.191
local terms energy: -56.314320
where:
bonds (distance) C4'-P energy: -9.755
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -3.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -222.716968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.716968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.716968 (E_RNA)
where:
Base-Base interactions energy: -148.011
where: short stacking energy: -66.672
Base-Backbone interact. energy: 0.788
local terms energy: -75.494666
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -19.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -219.847182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.847182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.847182 (E_RNA)
where:
Base-Base interactions energy: -151.200
where: short stacking energy: -71.685
Base-Backbone interact. energy: -0.391
local terms energy: -68.256445
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -19.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -213.139186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.139186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.139186 (E_RNA)
where:
Base-Base interactions energy: -135.280
where: short stacking energy: -62.119
Base-Backbone interact. energy: -0.034
local terms energy: -77.825276
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -19.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -217.885108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.885108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.885108 (E_RNA)
where:
Base-Base interactions energy: -142.559
where: short stacking energy: -65.070
Base-Backbone interact. energy: -0.040
local terms energy: -75.286252
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -17.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -202.204648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.204648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.204648 (E_RNA)
where:
Base-Base interactions energy: -133.659
where: short stacking energy: -65.596
Base-Backbone interact. energy: 1.070
local terms energy: -69.614949
where:
bonds (distance) C4'-P energy: -10.780
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -15.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -90.336556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.336556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.336556 (E_RNA)
where:
Base-Base interactions energy: -40.660
where: short stacking energy: -40.660
Base-Backbone interact. energy: 0.474
local terms energy: -50.150660
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -9.872
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -6.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -112.523363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.523363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.523363 (E_RNA)
where:
Base-Base interactions energy: -72.012
where: short stacking energy: -31.026
Base-Backbone interact. energy: 1.610
local terms energy: -42.122071
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -7.312
flat angles C4'-P-C4' energy: -7.720
flat angles P-C4'-P energy: -5.258
tors. eta vs tors. theta energy: -7.650
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: 8, replica: 9
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -85.842144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.842144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.842144 (E_RNA)
where:
Base-Base interactions energy: -29.632
where: short stacking energy: -22.231
Base-Backbone interact. energy: -0.376
local terms energy: -55.833907
where:
bonds (distance) C4'-P energy: -8.493
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -4.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -90.658720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.658720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.658720 (E_RNA)
where:
Base-Base interactions energy: -29.121
where: short stacking energy: -27.639
Base-Backbone interact. energy: -0.189
local terms energy: -61.348383
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -7.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -77.422123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.422123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.422123 (E_RNA)
where:
Base-Base interactions energy: -25.337
where: short stacking energy: -20.364
Base-Backbone interact. energy: -0.137
local terms energy: -51.947445
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -16.380
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -4.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -223.023762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.023762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.023762 (E_RNA)
where:
Base-Base interactions energy: -146.682
where: short stacking energy: -65.724
Base-Backbone interact. energy: -0.010
local terms energy: -76.331694
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -16.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -223.113875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.113875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.113875 (E_RNA)
where:
Base-Base interactions energy: -148.113
where: short stacking energy: -70.704
Base-Backbone interact. energy: -0.073
local terms energy: -74.926894
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -23.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -210.931242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.931242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.931242 (E_RNA)
where:
Base-Base interactions energy: -145.459
where: short stacking energy: -59.829
Base-Backbone interact. energy: -0.034
local terms energy: -65.438020
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -14.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -201.093210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.093210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.093210 (E_RNA)
where:
Base-Base interactions energy: -136.032
where: short stacking energy: -65.657
Base-Backbone interact. energy: -0.031
local terms energy: -65.030580
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -10.583
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: -15.883
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: 4
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -200.925778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.925778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.925778 (E_RNA)
where:
Base-Base interactions energy: -132.778
where: short stacking energy: -66.822
Base-Backbone interact. energy: 0.299
local terms energy: -68.447331
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -20.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -98.190899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.190899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.190899 (E_RNA)
where:
Base-Base interactions energy: -33.080
where: short stacking energy: -33.080
Base-Backbone interact. energy: -0.434
local terms energy: -64.676882
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -7.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -125.956241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.956241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.956241 (E_RNA)
where:
Base-Base interactions energy: -75.963
where: short stacking energy: -36.446
Base-Backbone interact. energy: -0.171
local terms energy: -49.822358
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -4.604
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: 8, replica: 9
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -94.483234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.483234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.483234 (E_RNA)
where:
Base-Base interactions energy: -44.830
where: short stacking energy: -23.575
Base-Backbone interact. energy: -0.133
local terms energy: -49.520136
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -5.377
tors. eta vs tors. theta energy: 1.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -77.259441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.259441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.259441 (E_RNA)
where:
Base-Base interactions energy: -24.325
where: short stacking energy: -24.325
Base-Backbone interact. energy: -0.172
local terms energy: -52.762700
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -7.922
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -3.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -85.167456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.167456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.167456 (E_RNA)
where:
Base-Base interactions energy: -30.807
where: short stacking energy: -19.947
Base-Backbone interact. energy: -0.134
local terms energy: -54.226566
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -2.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -224.875283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.875283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.875283 (E_RNA)
where:
Base-Base interactions energy: -152.981
where: short stacking energy: -65.533
Base-Backbone interact. energy: -0.024
local terms energy: -71.870204
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -13.528
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -16.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -221.194991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.194991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.194991 (E_RNA)
where:
Base-Base interactions energy: -144.483
where: short stacking energy: -65.666
Base-Backbone interact. energy: -0.001
local terms energy: -76.710336
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -10.879
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: 3, replica: 5
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -217.244596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.244596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.244596 (E_RNA)
where:
Base-Base interactions energy: -141.165
where: short stacking energy: -64.385
Base-Backbone interact. energy: -0.658
local terms energy: -75.421765
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -23.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -202.343193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.343193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.343193 (E_RNA)
where:
Base-Base interactions energy: -138.887
where: short stacking energy: -57.033
Base-Backbone interact. energy: -0.046
local terms energy: -63.409660
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -13.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -207.141356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.141356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.141356 (E_RNA)
where:
Base-Base interactions energy: -135.123
where: short stacking energy: -66.613
Base-Backbone interact. energy: -0.152
local terms energy: -71.866935
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -19.362
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: 6, replica: 1
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -104.504875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.504875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.504875 (E_RNA)
where:
Base-Base interactions energy: -59.173
where: short stacking energy: -24.411
Base-Backbone interact. energy: -0.392
local terms energy: -44.940146
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: 4.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -78.963870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.963870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.963870 (E_RNA)
where:
Base-Base interactions energy: -26.532
where: short stacking energy: -26.452
Base-Backbone interact. energy: -0.184
local terms energy: -52.247694
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -6.247
tors. eta vs tors. theta energy: -1.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -85.220328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.220328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.220328 (E_RNA)
where:
Base-Base interactions energy: -36.737
where: short stacking energy: -24.987
Base-Backbone interact. energy: -0.247
local terms energy: -48.236227
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -7.842
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -0.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -76.741453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.741453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.741453 (E_RNA)
where:
Base-Base interactions energy: -30.543
where: short stacking energy: -20.374
Base-Backbone interact. energy: -0.060
local terms energy: -46.137808
where:
bonds (distance) C4'-P energy: -7.855
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: 0.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -101.056399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.056399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.056399 (E_RNA)
where:
Base-Base interactions energy: -59.379
where: short stacking energy: -32.065
Base-Backbone interact. energy: -0.300
local terms energy: -41.377696
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -10.418
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: 2.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -225.755701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.755701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.755701 (E_RNA)
where:
Base-Base interactions energy: -151.078
where: short stacking energy: -65.550
Base-Backbone interact. energy: -0.002
local terms energy: -74.675302
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -20.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -222.053474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.053474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.053474 (E_RNA)
where:
Base-Base interactions energy: -142.472
where: short stacking energy: -67.524
Base-Backbone interact. energy: -0.004
local terms energy: -79.577888
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -20.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -210.931201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.931201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.931201 (E_RNA)
where:
Base-Base interactions energy: -142.013
where: short stacking energy: -62.928
Base-Backbone interact. energy: -0.003
local terms energy: -68.915411
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -19.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -204.200149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.200149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.200149 (E_RNA)
where:
Base-Base interactions energy: -133.352
where: short stacking energy: -62.056
Base-Backbone interact. energy: -0.053
local terms energy: -70.795329
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -18.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -201.497164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.497164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.497164 (E_RNA)
where:
Base-Base interactions energy: -133.789
where: short stacking energy: -62.216
Base-Backbone interact. energy: -0.005
local terms energy: -67.703228
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -15.683
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -19.647
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: 6, replica: 1
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -98.829349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.829349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.829349 (E_RNA)
where:
Base-Base interactions energy: -34.143
where: short stacking energy: -33.101
Base-Backbone interact. energy: -0.199
local terms energy: -64.487572
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -4.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -89.160157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.160157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.160157 (E_RNA)
where:
Base-Base interactions energy: -43.361
where: short stacking energy: -34.460
Base-Backbone interact. energy: -0.477
local terms energy: -45.323088
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: 0.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -77.961007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.961007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.961007 (E_RNA)
where:
Base-Base interactions energy: -34.163
where: short stacking energy: -19.202
Base-Backbone interact. energy: -0.459
local terms energy: -43.339848
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -3.993
tors. eta vs tors. theta energy: 2.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -74.182664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.182664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.182664 (E_RNA)
where:
Base-Base interactions energy: -26.889
where: short stacking energy: -26.889
Base-Backbone interact. energy: -0.103
local terms energy: -47.191431
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -9.860
flat angles P-C4'-P energy: -4.961
tors. eta vs tors. theta energy: -4.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -78.712955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.712955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.712955 (E_RNA)
where:
Base-Base interactions energy: -37.949
where: short stacking energy: -26.941
Base-Backbone interact. energy: -0.304
local terms energy: -40.460014
where:
bonds (distance) C4'-P energy: -8.762
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -4.282
tors. eta vs tors. theta energy: -2.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -231.932089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.932089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.932089 (E_RNA)
where:
Base-Base interactions energy: -154.795
where: short stacking energy: -62.931
Base-Backbone interact. energy: -0.111
local terms energy: -77.026308
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -20.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -224.899333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.899333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.899333 (E_RNA)
where:
Base-Base interactions energy: -149.216
where: short stacking energy: -66.192
Base-Backbone interact. energy: -0.001
local terms energy: -75.681533
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -19.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -221.071653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.071653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.071653 (E_RNA)
where:
Base-Base interactions energy: -147.221
where: short stacking energy: -60.361
Base-Backbone interact. energy: -0.014
local terms energy: -73.836584
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -13.971
tors. eta vs tors. theta energy: -12.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -202.729633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.729633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.729633 (E_RNA)
where:
Base-Base interactions energy: -133.995
where: short stacking energy: -61.943
Base-Backbone interact. energy: -0.020
local terms energy: -68.714298
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -15.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -178.765299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.765299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.765299 (E_RNA)
where:
Base-Base interactions energy: -108.792
where: short stacking energy: -47.730
Base-Backbone interact. energy: -0.094
local terms energy: -69.879140
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -16.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -88.702577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.702577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.702577 (E_RNA)
where:
Base-Base interactions energy: -42.886
where: short stacking energy: -30.402
Base-Backbone interact. energy: -0.226
local terms energy: -45.590605
where:
bonds (distance) C4'-P energy: -9.614
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -11.353
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -1.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -101.172969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.172969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.172969 (E_RNA)
where:
Base-Base interactions energy: -42.140
where: short stacking energy: -39.939
Base-Backbone interact. energy: -0.301
local terms energy: -58.732502
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -7.651
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: 8, replica: 9
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -80.031933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.031933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.031933 (E_RNA)
where:
Base-Base interactions energy: -29.515
where: short stacking energy: -19.673
Base-Backbone interact. energy: -0.124
local terms energy: -50.393301
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -3.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -72.301689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.301689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.301689 (E_RNA)
where:
Base-Base interactions energy: -35.892
where: short stacking energy: -20.566
Base-Backbone interact. energy: -0.138
local terms energy: -36.271520
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -5.201
flat angles P-C4'-P energy: 0.175
tors. eta vs tors. theta energy: 0.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -78.536100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.536100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.536100 (E_RNA)
where:
Base-Base interactions energy: -32.841
where: short stacking energy: -29.519
Base-Backbone interact. energy: -0.129
local terms energy: -45.565412
where:
bonds (distance) C4'-P energy: -14.097
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -10.195
flat angles P-C4'-P energy: -3.600
tors. eta vs tors. theta energy: -4.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -227.012566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.012566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.012566 (E_RNA)
where:
Base-Base interactions energy: -154.956
where: short stacking energy: -62.940
Base-Backbone interact. energy: -0.005
local terms energy: -72.051367
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -19.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -222.995575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.995575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.995575 (E_RNA)
where:
Base-Base interactions energy: -154.640
where: short stacking energy: -67.905
Base-Backbone interact. energy: -0.019
local terms energy: -68.336631
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -15.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -216.158112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.158112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.158112 (E_RNA)
where:
Base-Base interactions energy: -143.060
where: short stacking energy: -71.749
Base-Backbone interact. energy: -0.001
local terms energy: -73.096759
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -18.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -208.041884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.041884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.041884 (E_RNA)
where:
Base-Base interactions energy: -149.763
where: short stacking energy: -49.960
Base-Backbone interact. energy: 2.762
local terms energy: -61.040681
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -14.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -164.535874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.535874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.535874 (E_RNA)
where:
Base-Base interactions energy: -98.118
where: short stacking energy: -59.454
Base-Backbone interact. energy: -0.026
local terms energy: -66.392052
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -11.061
tors. eta vs tors. theta energy: -15.034
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: 408
Temperature: 1.150000
Total energy: -88.638538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.638538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.638538 (E_RNA)
where:
Base-Base interactions energy: -33.847
where: short stacking energy: -33.810
Base-Backbone interact. energy: -0.759
local terms energy: -54.033056
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -5.952
tors. eta vs tors. theta energy: -3.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -91.674730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.674730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.674730 (E_RNA)
where:
Base-Base interactions energy: -31.445
where: short stacking energy: -27.881
Base-Backbone interact. energy: -0.078
local terms energy: -60.151641
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -4.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -99.073887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.073887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.073887 (E_RNA)
where:
Base-Base interactions energy: -43.729
where: short stacking energy: -28.795
Base-Backbone interact. energy: -0.466
local terms energy: -54.879150
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -10.623
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -10.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -78.694091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.694091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.694091 (E_RNA)
where:
Base-Base interactions energy: -27.434
where: short stacking energy: -24.452
Base-Backbone interact. energy: -0.234
local terms energy: -51.026018
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -9.829
flat angles P-C4'-P energy: -12.025
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: 10, replica: 6
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -75.158098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.158098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.158098 (E_RNA)
where:
Base-Base interactions energy: -29.152
where: short stacking energy: -23.061
Base-Backbone interact. energy: 0.033
local terms energy: -46.038358
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -11.267
flat angles P-C4'-P energy: -5.430
tors. eta vs tors. theta energy: -0.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -223.570774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.570774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.570774 (E_RNA)
where:
Base-Base interactions energy: -158.528
where: short stacking energy: -67.607
Base-Backbone interact. energy: -0.179
local terms energy: -64.863359
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -16.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -216.525083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.525083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.525083 (E_RNA)
where:
Base-Base interactions energy: -136.311
where: short stacking energy: -60.699
Base-Backbone interact. energy: 0.902
local terms energy: -81.116121
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -18.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -221.245882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.245882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.245882 (E_RNA)
where:
Base-Base interactions energy: -151.911
where: short stacking energy: -63.527
Base-Backbone interact. energy: 0.100
local terms energy: -69.434744
where:
bonds (distance) C4'-P energy: -10.911
bonds (distance) P-C4' energy: -18.456
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -18.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -216.407328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.407328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.407328 (E_RNA)
where:
Base-Base interactions energy: -143.788
where: short stacking energy: -61.256
Base-Backbone interact. energy: -0.013
local terms energy: -72.606202
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -18.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -204.857838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.857838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.857838 (E_RNA)
where:
Base-Base interactions energy: -135.211
where: short stacking energy: -62.229
Base-Backbone interact. energy: -0.593
local terms energy: -69.053863
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -12.242
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -14.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -93.872303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.872303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.872303 (E_RNA)
where:
Base-Base interactions energy: -42.266
where: short stacking energy: -32.090
Base-Backbone interact. energy: 0.569
local terms energy: -52.175426
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -4.234
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: 7, replica: 8
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -96.181589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.181589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.181589 (E_RNA)
where:
Base-Base interactions energy: -41.718
where: short stacking energy: -39.359
Base-Backbone interact. energy: -0.059
local terms energy: -54.404525
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -6.450
tors. eta vs tors. theta energy: -7.926
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: 409
Temperature: 1.250000
Total energy: -88.936101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.936101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.936101 (E_RNA)
where:
Base-Base interactions energy: -41.787
where: short stacking energy: -27.749
Base-Backbone interact. energy: -0.292
local terms energy: -46.857082
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -7.004
flat angles P-C4'-P energy: -6.408
tors. eta vs tors. theta energy: -1.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -77.195687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.195687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.195687 (E_RNA)
where:
Base-Base interactions energy: -26.016
where: short stacking energy: -26.016
Base-Backbone interact. energy: -0.104
local terms energy: -51.074854
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -2.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -72.546588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.546588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.546588 (E_RNA)
where:
Base-Base interactions energy: -31.570
where: short stacking energy: -22.000
Base-Backbone interact. energy: -0.187
local terms energy: -40.789498
where:
bonds (distance) C4'-P energy: -2.743
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -3.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -230.636123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.636123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.636123 (E_RNA)
where:
Base-Base interactions energy: -158.592
where: short stacking energy: -68.394
Base-Backbone interact. energy: 0.339
local terms energy: -72.382906
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -20.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -211.641575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.641575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.641575 (E_RNA)
where:
Base-Base interactions energy: -136.715
where: short stacking energy: -58.018
Base-Backbone interact. energy: -1.055
local terms energy: -73.871815
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -15.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -218.292504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.292504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.292504 (E_RNA)
where:
Base-Base interactions energy: -144.864
where: short stacking energy: -74.104
Base-Backbone interact. energy: -0.014
local terms energy: -73.414471
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -20.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -206.449500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.449500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.449500 (E_RNA)
where:
Base-Base interactions energy: -127.662
where: short stacking energy: -56.065
Base-Backbone interact. energy: 0.290
local terms energy: -79.077481
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -19.344
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: 5, replica: 4
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -212.786225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.786225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.786225 (E_RNA)
where:
Base-Base interactions energy: -137.590
where: short stacking energy: -68.401
Base-Backbone interact. energy: 0.286
local terms energy: -75.482374
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -10.622
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -24.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -100.927261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.927261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.927261 (E_RNA)
where:
Base-Base interactions energy: -43.445
where: short stacking energy: -43.445
Base-Backbone interact. energy: -0.001
local terms energy: -57.481249
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -5.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -94.717051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.717051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.717051 (E_RNA)
where:
Base-Base interactions energy: -46.900
where: short stacking energy: -32.710
Base-Backbone interact. energy: -0.100
local terms energy: -47.717046
where:
bonds (distance) C4'-P energy: -8.961
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -0.065
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: 410
Temperature: 1.250000
Total energy: -81.697347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.697347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.697347 (E_RNA)
where:
Base-Base interactions energy: -33.906
where: short stacking energy: -26.203
Base-Backbone interact. energy: -0.024
local terms energy: -47.766721
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: 0.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -80.502731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.502731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.502731 (E_RNA)
where:
Base-Base interactions energy: -32.113
where: short stacking energy: -30.146
Base-Backbone interact. energy: 0.712
local terms energy: -49.101464
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -4.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -83.008296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.008296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.008296 (E_RNA)
where:
Base-Base interactions energy: -28.860
where: short stacking energy: -17.723
Base-Backbone interact. energy: 0.254
local terms energy: -54.401991
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -2.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -217.381533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.381533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.381533 (E_RNA)
where:
Base-Base interactions energy: -147.617
where: short stacking energy: -59.588
Base-Backbone interact. energy: 0.336
local terms energy: -70.100068
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -14.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -221.335511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.335511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.335511 (E_RNA)
where:
Base-Base interactions energy: -149.092
where: short stacking energy: -72.967
Base-Backbone interact. energy: 1.899
local terms energy: -74.142488
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -20.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -209.984496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.984496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.984496 (E_RNA)
where:
Base-Base interactions energy: -129.996
where: short stacking energy: -68.667
Base-Backbone interact. energy: -0.377
local terms energy: -79.611919
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -12.912
tors. eta vs tors. theta energy: -21.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -187.484524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.484524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.484524 (E_RNA)
where:
Base-Base interactions energy: -114.425
where: short stacking energy: -58.337
Base-Backbone interact. energy: -0.091
local terms energy: -72.968875
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -17.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -201.956223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.956223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.956223 (E_RNA)
where:
Base-Base interactions energy: -130.217
where: short stacking energy: -59.019
Base-Backbone interact. energy: -0.008
local terms energy: -71.730787
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: -18.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -104.125828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.125828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.125828 (E_RNA)
where:
Base-Base interactions energy: -40.420
where: short stacking energy: -33.583
Base-Backbone interact. energy: -0.253
local terms energy: -63.453163
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -7.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -90.549197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.549197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.549197 (E_RNA)
where:
Base-Base interactions energy: -26.222
where: short stacking energy: -26.222
Base-Backbone interact. energy: -0.083
local terms energy: -64.244730
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -8.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -100.465194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.465194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.465194 (E_RNA)
where:
Base-Base interactions energy: -40.857
where: short stacking energy: -40.857
Base-Backbone interact. energy: -0.000
local terms energy: -59.607615
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -6.903
tors. eta vs tors. theta energy: -11.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -81.825996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.825996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.825996 (E_RNA)
where:
Base-Base interactions energy: -25.346
where: short stacking energy: -20.369
Base-Backbone interact. energy: -0.738
local terms energy: -55.742113
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -16.915
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -4.098
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: 10, replica: 10
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -76.618236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.618236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.618236 (E_RNA)
where:
Base-Base interactions energy: -21.975
where: short stacking energy: -21.975
Base-Backbone interact. energy: -0.117
local terms energy: -54.526526
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -8.203
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -2.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -225.083892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.083892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.083892 (E_RNA)
where:
Base-Base interactions energy: -152.382
where: short stacking energy: -70.026
Base-Backbone interact. energy: -0.017
local terms energy: -72.684497
where:
bonds (distance) C4'-P energy: -12.353
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -16.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -225.259354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.259354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.259354 (E_RNA)
where:
Base-Base interactions energy: -152.145
where: short stacking energy: -62.464
Base-Backbone interact. energy: -0.062
local terms energy: -73.052269
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -18.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -201.803067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.803067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.803067 (E_RNA)
where:
Base-Base interactions energy: -132.606
where: short stacking energy: -61.737
Base-Backbone interact. energy: -0.004
local terms energy: -69.193143
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -8.477
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -19.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -213.768156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.768156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.768156 (E_RNA)
where:
Base-Base interactions energy: -137.258
where: short stacking energy: -64.417
Base-Backbone interact. energy: -0.559
local terms energy: -75.951349
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -18.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -212.439081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.439081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.439081 (E_RNA)
where:
Base-Base interactions energy: -140.156
where: short stacking energy: -67.941
Base-Backbone interact. energy: -0.274
local terms energy: -72.009294
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -19.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -110.281365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.281365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.281365 (E_RNA)
where:
Base-Base interactions energy: -50.338
where: short stacking energy: -39.784
Base-Backbone interact. energy: 0.005
local terms energy: -59.948388
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -10.373
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -7.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -89.484502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.484502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.484502 (E_RNA)
where:
Base-Base interactions energy: -43.363
where: short stacking energy: -22.542
Base-Backbone interact. energy: -0.077
local terms energy: -46.044951
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -6.404
tors. eta vs tors. theta energy: -0.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -87.820365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.820365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.820365 (E_RNA)
where:
Base-Base interactions energy: -34.927
where: short stacking energy: -33.535
Base-Backbone interact. energy: -0.486
local terms energy: -52.407450
where:
bonds (distance) C4'-P energy: -10.477
bonds (distance) P-C4' energy: -8.143
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -8.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -78.742650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.742650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.742650 (E_RNA)
where:
Base-Base interactions energy: -34.987
where: short stacking energy: -28.546
Base-Backbone interact. energy: -0.067
local terms energy: -43.687856
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -11.145
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -3.982
tors. eta vs tors. theta energy: 0.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -74.384574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.384574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.384574 (E_RNA)
where:
Base-Base interactions energy: -20.751
where: short stacking energy: -20.751
Base-Backbone interact. energy: -0.034
local terms energy: -53.598967
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -2.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -224.265795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.265795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.265795 (E_RNA)
where:
Base-Base interactions energy: -154.584
where: short stacking energy: -66.244
Base-Backbone interact. energy: -0.027
local terms energy: -69.655015
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -6.575
tors. eta vs tors. theta energy: -17.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -219.864223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.864223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.864223 (E_RNA)
where:
Base-Base interactions energy: -142.741
where: short stacking energy: -69.336
Base-Backbone interact. energy: -0.012
local terms energy: -77.110805
where:
bonds (distance) C4'-P energy: -10.584
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -21.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -212.655486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.655486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.655486 (E_RNA)
where:
Base-Base interactions energy: -136.961
where: short stacking energy: -64.024
Base-Backbone interact. energy: -0.001
local terms energy: -75.693349
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -17.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -208.691987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.691987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.691987 (E_RNA)
where:
Base-Base interactions energy: -145.493
where: short stacking energy: -63.757
Base-Backbone interact. energy: -0.205
local terms energy: -62.993705
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -15.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -206.213597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.213597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.213597 (E_RNA)
where:
Base-Base interactions energy: -135.018
where: short stacking energy: -61.874
Base-Backbone interact. energy: 0.112
local terms energy: -71.307555
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -5.626
tors. eta vs tors. theta energy: -18.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -126.554872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.554872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.554872 (E_RNA)
where:
Base-Base interactions energy: -72.085
where: short stacking energy: -47.345
Base-Backbone interact. energy: -0.227
local terms energy: -54.243009
where:
bonds (distance) C4'-P energy: -9.248
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -4.967
tors. eta vs tors. theta energy: -10.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -89.444025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.444025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.444025 (E_RNA)
where:
Base-Base interactions energy: -33.181
where: short stacking energy: -23.129
Base-Backbone interact. energy: -0.306
local terms energy: -55.956228
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -11.579
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -3.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -92.456558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.456558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.456558 (E_RNA)
where:
Base-Base interactions energy: -31.330
where: short stacking energy: -29.582
Base-Backbone interact. energy: -0.118
local terms energy: -61.008331
where:
bonds (distance) C4'-P energy: -18.205
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -6.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -80.181682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.181682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.181682 (E_RNA)
where:
Base-Base interactions energy: -38.738
where: short stacking energy: -26.985
Base-Backbone interact. energy: -0.361
local terms energy: -41.081767
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -9.222
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: 3.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -74.009541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.009541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.009541 (E_RNA)
where:
Base-Base interactions energy: -32.599
where: short stacking energy: -19.706
Base-Backbone interact. energy: -0.109
local terms energy: -41.301126
where:
bonds (distance) C4'-P energy: -8.059
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -11.120
flat angles P-C4'-P energy: -4.810
tors. eta vs tors. theta energy: -0.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -225.204216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.204216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.204216 (E_RNA)
where:
Base-Base interactions energy: -151.370
where: short stacking energy: -76.035
Base-Backbone interact. energy: -0.027
local terms energy: -73.807773
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -18.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -227.407644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.407644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.407644 (E_RNA)
where:
Base-Base interactions energy: -145.951
where: short stacking energy: -64.466
Base-Backbone interact. energy: -0.015
local terms energy: -81.441922
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -19.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -212.675423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.675423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.675423 (E_RNA)
where:
Base-Base interactions energy: -136.358
where: short stacking energy: -68.318
Base-Backbone interact. energy: -0.010
local terms energy: -76.307675
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: -20.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -215.287169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.287169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.287169 (E_RNA)
where:
Base-Base interactions energy: -139.006
where: short stacking energy: -64.099
Base-Backbone interact. energy: -0.467
local terms energy: -75.814079
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -17.564
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: 5, replica: 2
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -206.628789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.628789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.628789 (E_RNA)
where:
Base-Base interactions energy: -137.209
where: short stacking energy: -59.010
Base-Backbone interact. energy: -0.088
local terms energy: -69.332110
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -16.314
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: 6, replica: 1
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -92.808590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.808590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.808590 (E_RNA)
where:
Base-Base interactions energy: -40.875
where: short stacking energy: -29.148
Base-Backbone interact. energy: -0.572
local terms energy: -51.361512
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -1.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -87.433886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.433886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.433886 (E_RNA)
where:
Base-Base interactions energy: -29.628
where: short stacking energy: -29.283
Base-Backbone interact. energy: -0.219
local terms energy: -57.587718
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -9.044
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: 6
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -80.964775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.964775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.964775 (E_RNA)
where:
Base-Base interactions energy: -33.941
where: short stacking energy: -25.074
Base-Backbone interact. energy: -0.021
local terms energy: -47.002084
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: 0.818
tors. eta vs tors. theta energy: -3.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -72.705637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.705637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.705637 (E_RNA)
where:
Base-Base interactions energy: -26.976
where: short stacking energy: -16.246
Base-Backbone interact. energy: -0.197
local terms energy: -45.532216
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -5.730
tors. eta vs tors. theta energy: 3.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -81.561333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.561333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.561333 (E_RNA)
where:
Base-Base interactions energy: -31.629
where: short stacking energy: -28.898
Base-Backbone interact. energy: 0.799
local terms energy: -50.731595
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -1.694
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: 3
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -227.852623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.852623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.852623 (E_RNA)
where:
Base-Base interactions energy: -155.179
where: short stacking energy: -73.499
Base-Backbone interact. energy: -0.003
local terms energy: -72.670578
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -19.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -211.634358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.634358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.634358 (E_RNA)
where:
Base-Base interactions energy: -137.065
where: short stacking energy: -43.336
Base-Backbone interact. energy: -0.146
local terms energy: -74.423135
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -18.234
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -15.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -224.524879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.524879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.524879 (E_RNA)
where:
Base-Base interactions energy: -144.293
where: short stacking energy: -60.922
Base-Backbone interact. energy: -0.369
local terms energy: -79.862738
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -22.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -216.406268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.406268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.406268 (E_RNA)
where:
Base-Base interactions energy: -146.183
where: short stacking energy: -66.993
Base-Backbone interact. energy: -0.024
local terms energy: -70.199725
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: -18.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -180.791299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.791299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.791299 (E_RNA)
where:
Base-Base interactions energy: -112.776
where: short stacking energy: -55.932
Base-Backbone interact. energy: -0.063
local terms energy: -67.952429
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -17.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -111.215165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.215165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.215165 (E_RNA)
where:
Base-Base interactions energy: -46.693
where: short stacking energy: -41.822
Base-Backbone interact. energy: -0.339
local terms energy: -64.182576
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -9.039
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -13.221
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: 7, replica: 1
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -114.703787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.703787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.703787 (E_RNA)
where:
Base-Base interactions energy: -61.046
where: short stacking energy: -38.400
Base-Backbone interact. energy: -0.008
local terms energy: -53.649421
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -4.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -84.067253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.067253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.067253 (E_RNA)
where:
Base-Base interactions energy: -33.780
where: short stacking energy: -26.681
Base-Backbone interact. energy: -0.189
local terms energy: -50.098684
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: 0.361
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: 6
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -77.529742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.529742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.529742 (E_RNA)
where:
Base-Base interactions energy: -37.085
where: short stacking energy: -27.934
Base-Backbone interact. energy: -0.666
local terms energy: -39.779074
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -11.787
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -4.575
tors. eta vs tors. theta energy: -2.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -68.697155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.697155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.697155 (E_RNA)
where:
Base-Base interactions energy: -20.467
where: short stacking energy: -19.813
Base-Backbone interact. energy: -0.288
local terms energy: -47.942349
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -5.681
tors. eta vs tors. theta energy: 4.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -227.604937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.604937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.604937 (E_RNA)
where:
Base-Base interactions energy: -147.157
where: short stacking energy: -67.720
Base-Backbone interact. energy: -0.015
local terms energy: -80.433163
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -17.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -210.070560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.070560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.070560 (E_RNA)
where:
Base-Base interactions energy: -136.989
where: short stacking energy: -60.621
Base-Backbone interact. energy: -0.001
local terms energy: -73.080651
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -14.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -217.889611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.889611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.889611 (E_RNA)
where:
Base-Base interactions energy: -144.707
where: short stacking energy: -66.019
Base-Backbone interact. energy: -0.164
local terms energy: -73.018238
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -18.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -214.359305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.359305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.359305 (E_RNA)
where:
Base-Base interactions energy: -136.477
where: short stacking energy: -62.806
Base-Backbone interact. energy: -0.003
local terms energy: -77.879223
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -19.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -200.547198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.547198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.547198 (E_RNA)
where:
Base-Base interactions energy: -126.480
where: short stacking energy: -59.708
Base-Backbone interact. energy: -0.002
local terms energy: -74.064752
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -21.609
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: 8
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -94.015773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.015773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.015773 (E_RNA)
where:
Base-Base interactions energy: -39.497
where: short stacking energy: -28.380
Base-Backbone interact. energy: -0.042
local terms energy: -54.476540
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -8.976
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -7.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -88.338635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.338635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.338635 (E_RNA)
where:
Base-Base interactions energy: -33.288
where: short stacking energy: -27.418
Base-Backbone interact. energy: -0.375
local terms energy: -54.676545
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -0.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -88.684553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.684553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.684553 (E_RNA)
where:
Base-Base interactions energy: -33.991
where: short stacking energy: -33.991
Base-Backbone interact. energy: -0.015
local terms energy: -54.677814
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -3.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -73.738532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.738532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.738532 (E_RNA)
where:
Base-Base interactions energy: -24.109
where: short stacking energy: -16.849
Base-Backbone interact. energy: -0.152
local terms energy: -49.477251
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -5.868
tors. eta vs tors. theta energy: 0.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -72.016498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.016498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.016498 (E_RNA)
where:
Base-Base interactions energy: -28.295
where: short stacking energy: -17.912
Base-Backbone interact. energy: -0.111
local terms energy: -43.610235
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -4.665
tors. eta vs tors. theta energy: -0.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -214.225374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.225374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.225374 (E_RNA)
where:
Base-Base interactions energy: -143.698
where: short stacking energy: -69.689
Base-Backbone interact. energy: -0.159
local terms energy: -70.368056
where:
bonds (distance) C4'-P energy: -13.753
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -16.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -213.717980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.717980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.717980 (E_RNA)
where:
Base-Base interactions energy: -139.363
where: short stacking energy: -57.170
Base-Backbone interact. energy: -0.072
local terms energy: -74.282535
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -17.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -207.325482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.325482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.325482 (E_RNA)
where:
Base-Base interactions energy: -135.364
where: short stacking energy: -66.502
Base-Backbone interact. energy: -0.004
local terms energy: -71.957014
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -18.318
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -17.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -223.661062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.661062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.661062 (E_RNA)
where:
Base-Base interactions energy: -146.716
where: short stacking energy: -66.067
Base-Backbone interact. energy: -0.107
local terms energy: -76.838152
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -20.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -209.488434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.488434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.488434 (E_RNA)
where:
Base-Base interactions energy: -132.938
where: short stacking energy: -62.959
Base-Backbone interact. energy: 0.765
local terms energy: -77.315553
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -21.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -99.897181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.897181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.897181 (E_RNA)
where:
Base-Base interactions energy: -49.321
where: short stacking energy: -40.995
Base-Backbone interact. energy: 0.869
local terms energy: -51.445147
where:
bonds (distance) C4'-P energy: -9.399
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -2.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -93.279338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.279338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.279338 (E_RNA)
where:
Base-Base interactions energy: -50.027
where: short stacking energy: -32.699
Base-Backbone interact. energy: -0.393
local terms energy: -42.859941
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -2.822
tors. eta vs tors. theta energy: -0.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -83.169476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.169476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.169476 (E_RNA)
where:
Base-Base interactions energy: -33.144
where: short stacking energy: -25.122
Base-Backbone interact. energy: 1.382
local terms energy: -51.407154
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -11.033
flat angles P-C4'-P energy: -6.569
tors. eta vs tors. theta energy: -3.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -79.742510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.742510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.742510 (E_RNA)
where:
Base-Base interactions energy: -31.256
where: short stacking energy: -22.415
Base-Backbone interact. energy: -1.138
local terms energy: -47.348718
where:
bonds (distance) C4'-P energy: -7.900
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -9.730
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: 10, replica: 6
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -83.167421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.167421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.167421 (E_RNA)
where:
Base-Base interactions energy: -28.654
where: short stacking energy: -20.122
Base-Backbone interact. energy: -1.048
local terms energy: -53.464734
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -5.938
tors. eta vs tors. theta energy: -5.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -221.591799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.591799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.591799 (E_RNA)
where:
Base-Base interactions energy: -140.355
where: short stacking energy: -74.482
Base-Backbone interact. energy: -0.000
local terms energy: -81.236354
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -18.479
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -20.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -210.095975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.095975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.095975 (E_RNA)
where:
Base-Base interactions energy: -135.851
where: short stacking energy: -65.394
Base-Backbone interact. energy: -0.436
local terms energy: -73.808869
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -11.985
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -21.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -221.432593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.432593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.432593 (E_RNA)
where:
Base-Base interactions energy: -147.582
where: short stacking energy: -64.448
Base-Backbone interact. energy: -0.008
local terms energy: -73.843357
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -18.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -205.939819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.939819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.939819 (E_RNA)
where:
Base-Base interactions energy: -146.193
where: short stacking energy: -60.900
Base-Backbone interact. energy: -0.037
local terms energy: -59.710420
where:
bonds (distance) C4'-P energy: -7.857
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -15.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -200.644887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.644887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.644887 (E_RNA)
where:
Base-Base interactions energy: -136.703
where: short stacking energy: -62.827
Base-Backbone interact. energy: -0.289
local terms energy: -63.652322
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: -16.056
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: 6, replica: 8
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -86.922280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.922280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.922280 (E_RNA)
where:
Base-Base interactions energy: -30.557
where: short stacking energy: -30.169
Base-Backbone interact. energy: -0.144
local terms energy: -56.221928
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -2.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -103.782654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.782654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.782654 (E_RNA)
where:
Base-Base interactions energy: -47.230
where: short stacking energy: -43.297
Base-Backbone interact. energy: -0.107
local terms energy: -56.445450
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -8.762
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -7.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -93.681718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.681718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.681718 (E_RNA)
where:
Base-Base interactions energy: -32.327
where: short stacking energy: -32.327
Base-Backbone interact. energy: 0.306
local terms energy: -61.661414
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -9.911
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: 9, replica: 6
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -78.275924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.275924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.275924 (E_RNA)
where:
Base-Base interactions energy: -35.845
where: short stacking energy: -13.606
Base-Backbone interact. energy: -0.270
local terms energy: -42.160499
where:
bonds (distance) C4'-P energy: -8.135
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -7.372
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -79.386498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.386498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.386498 (E_RNA)
where:
Base-Base interactions energy: -30.559
where: short stacking energy: -30.559
Base-Backbone interact. energy: -0.131
local terms energy: -48.696393
where:
bonds (distance) C4'-P energy: -10.557
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -4.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -223.032392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.032392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.032392 (E_RNA)
where:
Base-Base interactions energy: -152.009
where: short stacking energy: -61.493
Base-Backbone interact. energy: 0.742
local terms energy: -71.765659
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -14.632
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: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -211.152211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.152211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.152211 (E_RNA)
where:
Base-Base interactions energy: -145.691
where: short stacking energy: -59.411
Base-Backbone interact. energy: -0.080
local terms energy: -65.380675
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -20.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -212.157774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.157774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.157774 (E_RNA)
where:
Base-Base interactions energy: -142.296
where: short stacking energy: -68.739
Base-Backbone interact. energy: 0.194
local terms energy: -70.055610
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -11.729
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -19.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -212.452014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.452014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.452014 (E_RNA)
where:
Base-Base interactions energy: -151.725
where: short stacking energy: -69.066
Base-Backbone interact. energy: 0.099
local terms energy: -60.825963
where:
bonds (distance) C4'-P energy: -7.230
bonds (distance) P-C4' energy: -10.919
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -18.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -176.142282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.142282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.142282 (E_RNA)
where:
Base-Base interactions energy: -113.652
where: short stacking energy: -45.416
Base-Backbone interact. energy: -0.100
local terms energy: -62.390669
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -12.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -100.926862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.926862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.926862 (E_RNA)
where:
Base-Base interactions energy: -41.572
where: short stacking energy: -40.314
Base-Backbone interact. energy: -0.123
local terms energy: -59.231570
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -7.398
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -9.194
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: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -85.069642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.069642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.069642 (E_RNA)
where:
Base-Base interactions energy: -31.644
where: short stacking energy: -17.785
Base-Backbone interact. energy: -0.518
local terms energy: -52.907147
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -3.091
tors. eta vs tors. theta energy: -6.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -80.037928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.037928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.037928 (E_RNA)
where:
Base-Base interactions energy: -33.362
where: short stacking energy: -16.002
Base-Backbone interact. energy: -1.222
local terms energy: -45.453998
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -9.531
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: 1.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -85.151404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.151404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.151404 (E_RNA)
where:
Base-Base interactions energy: -27.855
where: short stacking energy: -23.669
Base-Backbone interact. energy: -0.165
local terms energy: -57.131442
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -4.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -73.073078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.073078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.073078 (E_RNA)
where:
Base-Base interactions energy: -20.388
where: short stacking energy: -20.118
Base-Backbone interact. energy: -0.177
local terms energy: -52.507913
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: 0.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -226.540984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.540984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.540984 (E_RNA)
where:
Base-Base interactions energy: -156.234
where: short stacking energy: -66.686
Base-Backbone interact. energy: -0.507
local terms energy: -69.800532
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: -18.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -224.103842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.103842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.103842 (E_RNA)
where:
Base-Base interactions energy: -147.456
where: short stacking energy: -66.006
Base-Backbone interact. energy: -0.040
local terms energy: -76.607375
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -19.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -213.447679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.447679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.447679 (E_RNA)
where:
Base-Base interactions energy: -139.184
where: short stacking energy: -58.239
Base-Backbone interact. energy: -0.460
local terms energy: -73.803628
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -20.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -216.426176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.426176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.426176 (E_RNA)
where:
Base-Base interactions energy: -140.617
where: short stacking energy: -67.317
Base-Backbone interact. energy: -0.013
local terms energy: -75.795677
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -17.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -187.544068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.544068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.544068 (E_RNA)
where:
Base-Base interactions energy: -122.984
where: short stacking energy: -52.257
Base-Backbone interact. energy: -0.104
local terms energy: -64.456023
where:
bonds (distance) C4'-P energy: -6.680
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -18.125
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -14.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -93.728651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.728651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.728651 (E_RNA)
where:
Base-Base interactions energy: -41.256
where: short stacking energy: -29.535
Base-Backbone interact. energy: -0.165
local terms energy: -52.308342
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -0.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -86.385473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.385473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.385473 (E_RNA)
where:
Base-Base interactions energy: -34.753
where: short stacking energy: -30.536
Base-Backbone interact. energy: -0.657
local terms energy: -50.975454
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -2.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -95.275147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.275147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.275147 (E_RNA)
where:
Base-Base interactions energy: -44.584
where: short stacking energy: -34.226
Base-Backbone interact. energy: -0.080
local terms energy: -50.610818
where:
bonds (distance) C4'-P energy: -6.820
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -8.556
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: 1
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -79.883183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.883183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.883183 (E_RNA)
where:
Base-Base interactions energy: -33.382
where: short stacking energy: -28.029
Base-Backbone interact. energy: -0.052
local terms energy: -46.449158
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -4.323
tors. eta vs tors. theta energy: -3.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -77.217312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.217312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.217312 (E_RNA)
where:
Base-Base interactions energy: -34.261
where: short stacking energy: -22.175
Base-Backbone interact. energy: 0.114
local terms energy: -43.070441
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -5.734
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -1.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -225.035265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.035265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.035265 (E_RNA)
where:
Base-Base interactions energy: -151.048
where: short stacking energy: -61.281
Base-Backbone interact. energy: -0.006
local terms energy: -73.981324
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -17.632
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: 7
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -218.642312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.642312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.642312 (E_RNA)
where:
Base-Base interactions energy: -148.188
where: short stacking energy: -65.533
Base-Backbone interact. energy: -0.320
local terms energy: -70.134297
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -17.729
flat angles P-C4'-P energy: -4.504
tors. eta vs tors. theta energy: -17.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -220.043167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.043167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.043167 (E_RNA)
where:
Base-Base interactions energy: -146.852
where: short stacking energy: -61.409
Base-Backbone interact. energy: -0.328
local terms energy: -72.863769
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -18.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -215.743234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.743234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.743234 (E_RNA)
where:
Base-Base interactions energy: -144.895
where: short stacking energy: -74.744
Base-Backbone interact. energy: -0.007
local terms energy: -70.840836
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -20.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -194.371834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.371834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.371834 (E_RNA)
where:
Base-Base interactions energy: -130.216
where: short stacking energy: -67.027
Base-Backbone interact. energy: 0.926
local terms energy: -65.082510
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -8.353
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -16.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -98.694923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.694923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.694923 (E_RNA)
where:
Base-Base interactions energy: -50.300
where: short stacking energy: -46.461
Base-Backbone interact. energy: -0.351
local terms energy: -48.043669
where:
bonds (distance) C4'-P energy: -7.562
bonds (distance) P-C4' energy: -11.519
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -5.609
tors. eta vs tors. theta energy: -8.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -94.327135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.327135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.327135 (E_RNA)
where:
Base-Base interactions energy: -44.772
where: short stacking energy: -37.023
Base-Backbone interact. energy: -0.018
local terms energy: -49.537629
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -8.547
flat angles P-C4'-P energy: -2.088
tors. eta vs tors. theta energy: -7.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -94.271856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.271856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.271856 (E_RNA)
where:
Base-Base interactions energy: -36.631
where: short stacking energy: -33.206
Base-Backbone interact. energy: -0.384
local terms energy: -57.256834
where:
bonds (distance) C4'-P energy: -8.258
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -5.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -88.202722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.202722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.202722 (E_RNA)
where:
Base-Base interactions energy: -35.916
where: short stacking energy: -35.507
Base-Backbone interact. energy: -0.013
local terms energy: -52.274039
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -10.353
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -11.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -67.302921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.302921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.302921 (E_RNA)
where:
Base-Base interactions energy: -15.794
where: short stacking energy: -15.233
Base-Backbone interact. energy: -0.129
local terms energy: -51.380404
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -5.127
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: 7
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -221.832381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.832381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.832381 (E_RNA)
where:
Base-Base interactions energy: -148.268
where: short stacking energy: -63.309
Base-Backbone interact. energy: -0.185
local terms energy: -73.380297
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -17.514
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: 2, replica: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -224.897500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.897500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.897500 (E_RNA)
where:
Base-Base interactions energy: -151.295
where: short stacking energy: -66.445
Base-Backbone interact. energy: -0.110
local terms energy: -73.492382
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -21.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -199.194865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.194865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.194865 (E_RNA)
where:
Base-Base interactions energy: -132.848
where: short stacking energy: -61.611
Base-Backbone interact. energy: -0.225
local terms energy: -66.122619
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -7.888
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -16.757
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: 4, replica: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -211.050000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.050000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.050000 (E_RNA)
where:
Base-Base interactions energy: -133.905
where: short stacking energy: -68.239
Base-Backbone interact. energy: -0.002
local terms energy: -77.142496
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -20.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -205.166115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.166115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.166115 (E_RNA)
where:
Base-Base interactions energy: -129.939
where: short stacking energy: -63.056
Base-Backbone interact. energy: 0.151
local terms energy: -75.377969
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -14.451
tors. eta vs tors. theta energy: -18.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -119.090984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.090984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.090984 (E_RNA)
where:
Base-Base interactions energy: -59.145
where: short stacking energy: -43.879
Base-Backbone interact. energy: 0.239
local terms energy: -60.185578
where:
bonds (distance) C4'-P energy: -10.308
bonds (distance) P-C4' energy: -9.991
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -14.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -94.460801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.460801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.460801 (E_RNA)
where:
Base-Base interactions energy: -44.505
where: short stacking energy: -28.626
Base-Backbone interact. energy: -0.298
local terms energy: -49.657413
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -7.593
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: 8, replica: 9
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -84.926548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.926548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.926548 (E_RNA)
where:
Base-Base interactions energy: -34.902
where: short stacking energy: -29.205
Base-Backbone interact. energy: -0.266
local terms energy: -49.758730
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -4.899
tors. eta vs tors. theta energy: -1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -85.754140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.754140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.754140 (E_RNA)
where:
Base-Base interactions energy: -33.085
where: short stacking energy: -33.085
Base-Backbone interact. energy: -0.452
local terms energy: -52.217460
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -8.752
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -8.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -83.195610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.195610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.195610 (E_RNA)
where:
Base-Base interactions energy: -29.979
where: short stacking energy: -28.711
Base-Backbone interact. energy: -0.160
local terms energy: -53.056320
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -5.810
tors. eta vs tors. theta energy: -3.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -225.520174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.520174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.520174 (E_RNA)
where:
Base-Base interactions energy: -149.672
where: short stacking energy: -69.235
Base-Backbone interact. energy: -0.076
local terms energy: -75.772118
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -19.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -212.945646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.945646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.945646 (E_RNA)
where:
Base-Base interactions energy: -136.228
where: short stacking energy: -60.631
Base-Backbone interact. energy: -0.268
local terms energy: -76.449244
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -18.114
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: 5
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -211.912615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.912615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.912615 (E_RNA)
where:
Base-Base interactions energy: -138.886
where: short stacking energy: -66.249
Base-Backbone interact. energy: -0.001
local terms energy: -73.025177
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -17.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -198.225862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.225862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.225862 (E_RNA)
where:
Base-Base interactions energy: -135.237
where: short stacking energy: -63.105
Base-Backbone interact. energy: -0.037
local terms energy: -62.951147
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -11.729
flat angles C4'-P-C4' energy: -11.781
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -15.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -188.695023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.695023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.695023 (E_RNA)
where:
Base-Base interactions energy: -122.082
where: short stacking energy: -49.378
Base-Backbone interact. energy: -0.020
local terms energy: -66.593496
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -12.191
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -15.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -116.094025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.094025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.094025 (E_RNA)
where:
Base-Base interactions energy: -57.181
where: short stacking energy: -33.842
Base-Backbone interact. energy: -1.194
local terms energy: -57.718977
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: -10.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -83.043127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.043127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.043127 (E_RNA)
where:
Base-Base interactions energy: -34.370
where: short stacking energy: -22.501
Base-Backbone interact. energy: -0.021
local terms energy: -48.652107
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -9.816
flat angles P-C4'-P energy: -10.864
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: 8, replica: 9
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -81.534387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.534387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.534387 (E_RNA)
where:
Base-Base interactions energy: -27.648
where: short stacking energy: -19.713
Base-Backbone interact. energy: 2.432
local terms energy: -56.318324
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -1.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -80.795622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.795622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.795622 (E_RNA)
where:
Base-Base interactions energy: -29.867
where: short stacking energy: -27.294
Base-Backbone interact. energy: -0.096
local terms energy: -50.832552
where:
bonds (distance) C4'-P energy: -7.621
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -4.275
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: 10, replica: 8
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -85.874396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.874396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.874396 (E_RNA)
where:
Base-Base interactions energy: -25.975
where: short stacking energy: -23.199
Base-Backbone interact. energy: -0.209
local terms energy: -59.690349
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -9.953
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -5.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -226.131593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.131593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.131593 (E_RNA)
where:
Base-Base interactions energy: -141.717
where: short stacking energy: -72.778
Base-Backbone interact. energy: -0.030
local terms energy: -84.384809
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -21.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -204.018812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.018812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.018812 (E_RNA)
where:
Base-Base interactions energy: -137.344
where: short stacking energy: -58.503
Base-Backbone interact. energy: -0.002
local terms energy: -66.672979
where:
bonds (distance) C4'-P energy: -11.662
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -18.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -214.367446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.367446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.367446 (E_RNA)
where:
Base-Base interactions energy: -138.824
where: short stacking energy: -55.813
Base-Backbone interact. energy: 1.053
local terms energy: -76.596415
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -17.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -206.354649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.354649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.354649 (E_RNA)
where:
Base-Base interactions energy: -128.917
where: short stacking energy: -67.680
Base-Backbone interact. energy: -0.009
local terms energy: -77.428741
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -12.629
tors. eta vs tors. theta energy: -19.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -212.493727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.493727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.493727 (E_RNA)
where:
Base-Base interactions energy: -133.646
where: short stacking energy: -60.421
Base-Backbone interact. energy: -0.037
local terms energy: -78.810913
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -17.514
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -19.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -123.023657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.023657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.023657 (E_RNA)
where:
Base-Base interactions energy: -66.805
where: short stacking energy: -33.058
Base-Backbone interact. energy: -0.285
local terms energy: -55.934088
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -5.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -99.270072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.270072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.270072 (E_RNA)
where:
Base-Base interactions energy: -49.609
where: short stacking energy: -26.347
Base-Backbone interact. energy: -0.350
local terms energy: -49.310802
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -12.107
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -0.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -78.474076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.474076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.474076 (E_RNA)
where:
Base-Base interactions energy: -26.342
where: short stacking energy: -26.342
Base-Backbone interact. energy: -0.110
local terms energy: -52.022720
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -10.117
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -3.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -84.245309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.245309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.245309 (E_RNA)
where:
Base-Base interactions energy: -33.407
where: short stacking energy: -22.334
Base-Backbone interact. energy: -0.591
local terms energy: -50.247484
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -7.753
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -6.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -79.796765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.796765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.796765 (E_RNA)
where:
Base-Base interactions energy: -34.799
where: short stacking energy: -32.622
Base-Backbone interact. energy: -0.125
local terms energy: -44.872831
where:
bonds (distance) C4'-P energy: -8.009
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -9.662
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -5.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -223.477850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.477850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.477850 (E_RNA)
where:
Base-Base interactions energy: -138.213
where: short stacking energy: -69.778
Base-Backbone interact. energy: -0.041
local terms energy: -85.223844
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -13.192
tors. eta vs tors. theta energy: -22.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -225.770841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.770841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.770841 (E_RNA)
where:
Base-Base interactions energy: -147.818
where: short stacking energy: -73.736
Base-Backbone interact. energy: -0.014
local terms energy: -77.939530
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -18.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -222.072991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.072991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.072991 (E_RNA)
where:
Base-Base interactions energy: -151.266
where: short stacking energy: -66.785
Base-Backbone interact. energy: -0.077
local terms energy: -70.730334
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -18.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -210.979459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.979459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.979459 (E_RNA)
where:
Base-Base interactions energy: -143.355
where: short stacking energy: -64.855
Base-Backbone interact. energy: -0.071
local terms energy: -67.553327
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -16.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -203.400720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.400720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.400720 (E_RNA)
where:
Base-Base interactions energy: -135.531
where: short stacking energy: -64.075
Base-Backbone interact. energy: -0.026
local terms energy: -67.843207
where:
bonds (distance) C4'-P energy: -8.467
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -19.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -92.164594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.164594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.164594 (E_RNA)
where:
Base-Base interactions energy: -42.432
where: short stacking energy: -38.198
Base-Backbone interact. energy: -0.359
local terms energy: -49.373374
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -9.581
flat angles P-C4'-P energy: -10.390
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -129.109540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.109540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.109540 (E_RNA)
where:
Base-Base interactions energy: -76.643
where: short stacking energy: -37.836
Base-Backbone interact. energy: -0.181
local terms energy: -52.285690
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -3.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -78.123092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.123092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.123092 (E_RNA)
where:
Base-Base interactions energy: -24.157
where: short stacking energy: -20.164
Base-Backbone interact. energy: -0.106
local terms energy: -53.859574
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -0.935
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: 425
Temperature: 1.300000
Total energy: -85.911620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.911620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.911620 (E_RNA)
where:
Base-Base interactions energy: -31.532
where: short stacking energy: -30.539
Base-Backbone interact. energy: -0.151
local terms energy: -54.229051
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -11.082
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -7.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -77.981086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.981086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.981086 (E_RNA)
where:
Base-Base interactions energy: -28.528
where: short stacking energy: -28.240
Base-Backbone interact. energy: -0.402
local terms energy: -49.051322
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -6.564
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -5.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -225.462381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.462381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.462381 (E_RNA)
where:
Base-Base interactions energy: -148.677
where: short stacking energy: -57.959
Base-Backbone interact. energy: -0.654
local terms energy: -76.130982
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -19.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -220.667870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.667870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.667870 (E_RNA)
where:
Base-Base interactions energy: -147.476
where: short stacking energy: -70.615
Base-Backbone interact. energy: -0.030
local terms energy: -73.161790
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -21.589
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: 2
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -222.482300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.482300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.482300 (E_RNA)
where:
Base-Base interactions energy: -148.461
where: short stacking energy: -66.141
Base-Backbone interact. energy: -0.116
local terms energy: -73.904997
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -21.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -213.441406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.441406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.441406 (E_RNA)
where:
Base-Base interactions energy: -142.911
where: short stacking energy: -63.386
Base-Backbone interact. energy: -0.965
local terms energy: -69.564821
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -19.129
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: 3
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -198.278851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.278851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.278851 (E_RNA)
where:
Base-Base interactions energy: -125.001
where: short stacking energy: -61.109
Base-Backbone interact. energy: -0.893
local terms energy: -72.385412
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -18.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -125.155553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.155553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.155553 (E_RNA)
where:
Base-Base interactions energy: -71.565
where: short stacking energy: -32.101
Base-Backbone interact. energy: -0.128
local terms energy: -53.462901
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -10.072
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -4.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -86.217946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.217946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.217946 (E_RNA)
where:
Base-Base interactions energy: -35.627
where: short stacking energy: -23.995
Base-Backbone interact. energy: -0.211
local terms energy: -50.379075
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -8.898
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -1.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -79.911635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.911635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.911635 (E_RNA)
where:
Base-Base interactions energy: -35.664
where: short stacking energy: -18.705
Base-Backbone interact. energy: -0.228
local terms energy: -44.019670
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -2.968
tors. eta vs tors. theta energy: -1.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -79.007368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.007368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.007368 (E_RNA)
where:
Base-Base interactions energy: -27.398
where: short stacking energy: -25.429
Base-Backbone interact. energy: -0.894
local terms energy: -50.715699
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -11.639
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -1.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -95.809076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.809076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.809076 (E_RNA)
where:
Base-Base interactions energy: -39.719
where: short stacking energy: -27.044
Base-Backbone interact. energy: -0.051
local terms energy: -56.038724
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -11.436
flat angles P-C4'-P energy: -7.118
tors. eta vs tors. theta energy: -6.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -231.242532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.242532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.242532 (E_RNA)
where:
Base-Base interactions energy: -154.547
where: short stacking energy: -70.024
Base-Backbone interact. energy: -0.109
local terms energy: -76.586900
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -21.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -219.098794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.098794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.098794 (E_RNA)
where:
Base-Base interactions energy: -151.611
where: short stacking energy: -66.752
Base-Backbone interact. energy: -0.071
local terms energy: -67.416883
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -8.717
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -223.898734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.898734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.898734 (E_RNA)
where:
Base-Base interactions energy: -144.797
where: short stacking energy: -68.312
Base-Backbone interact. energy: 0.629
local terms energy: -79.731577
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -22.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -216.145037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.145037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.145037 (E_RNA)
where:
Base-Base interactions energy: -138.840
where: short stacking energy: -67.413
Base-Backbone interact. energy: -0.008
local terms energy: -77.297002
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -20.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -219.040224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.040224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.040224 (E_RNA)
where:
Base-Base interactions energy: -151.150
where: short stacking energy: -70.003
Base-Backbone interact. energy: -0.138
local terms energy: -67.752529
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -18.300
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: 6
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -113.744066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.744066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.744066 (E_RNA)
where:
Base-Base interactions energy: -54.807
where: short stacking energy: -39.101
Base-Backbone interact. energy: -0.547
local terms energy: -58.389613
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -7.938
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: 9
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -94.095789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.095789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.095789 (E_RNA)
where:
Base-Base interactions energy: -44.171
where: short stacking energy: -25.263
Base-Backbone interact. energy: -0.230
local terms energy: -49.694889
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -14.692
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: 1.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -92.327654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.327654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.327654 (E_RNA)
where:
Base-Base interactions energy: -43.193
where: short stacking energy: -23.574
Base-Backbone interact. energy: -0.174
local terms energy: -48.960800
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: 0.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -92.650090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.650090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.650090 (E_RNA)
where:
Base-Base interactions energy: -43.000
where: short stacking energy: -21.720
Base-Backbone interact. energy: -0.533
local terms energy: -49.117820
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -9.662
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -2.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -86.221588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.221588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.221588 (E_RNA)
where:
Base-Base interactions energy: -41.987
where: short stacking energy: -26.690
Base-Backbone interact. energy: 0.971
local terms energy: -45.205560
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -9.586
flat angles P-C4'-P energy: -6.946
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -221.796928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.796928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.796928 (E_RNA)
where:
Base-Base interactions energy: -144.044
where: short stacking energy: -66.690
Base-Backbone interact. energy: -0.024
local terms energy: -77.729365
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -21.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -223.300896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.300896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.300896 (E_RNA)
where:
Base-Base interactions energy: -147.391
where: short stacking energy: -65.616
Base-Backbone interact. energy: -0.262
local terms energy: -75.648417
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -17.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -223.376657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.376657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.376657 (E_RNA)
where:
Base-Base interactions energy: -140.276
where: short stacking energy: -70.137
Base-Backbone interact. energy: -0.235
local terms energy: -82.865994
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -21.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -208.168683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.168683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.168683 (E_RNA)
where:
Base-Base interactions energy: -129.666
where: short stacking energy: -56.251
Base-Backbone interact. energy: -0.048
local terms energy: -78.455081
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -18.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -213.342690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.342690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.342690 (E_RNA)
where:
Base-Base interactions energy: -138.760
where: short stacking energy: -59.230
Base-Backbone interact. energy: -0.065
local terms energy: -74.517540
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -20.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -91.853690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.853690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.853690 (E_RNA)
where:
Base-Base interactions energy: -41.959
where: short stacking energy: -18.638
Base-Backbone interact. energy: -0.058
local terms energy: -49.836910
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: 2.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -92.545251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.545251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.545251 (E_RNA)
where:
Base-Base interactions energy: -25.038
where: short stacking energy: -24.946
Base-Backbone interact. energy: -0.020
local terms energy: -67.487219
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -8.265
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: 8, replica: 1
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -77.401590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.401590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.401590 (E_RNA)
where:
Base-Base interactions energy: -28.265
where: short stacking energy: -21.754
Base-Backbone interact. energy: 0.436
local terms energy: -49.572033
where:
bonds (distance) C4'-P energy: -9.767
bonds (distance) P-C4' energy: -10.031
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: 0.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -79.519933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.519933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.519933 (E_RNA)
where:
Base-Base interactions energy: -29.203
where: short stacking energy: -21.091
Base-Backbone interact. energy: 0.254
local terms energy: -50.571354
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -8.209
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: -1.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -83.075788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.075788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.075788 (E_RNA)
where:
Base-Base interactions energy: -27.466
where: short stacking energy: -20.519
Base-Backbone interact. energy: 0.901
local terms energy: -56.510676
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -4.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -227.745942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.745942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.745942 (E_RNA)
where:
Base-Base interactions energy: -154.249
where: short stacking energy: -61.125
Base-Backbone interact. energy: -0.528
local terms energy: -72.969550
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -16.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -226.334181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.334181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.334181 (E_RNA)
where:
Base-Base interactions energy: -146.394
where: short stacking energy: -70.641
Base-Backbone interact. energy: -0.003
local terms energy: -79.937968
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -15.199
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -20.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -212.244545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.244545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.244545 (E_RNA)
where:
Base-Base interactions energy: -133.157
where: short stacking energy: -65.810
Base-Backbone interact. energy: -0.072
local terms energy: -79.015636
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -23.849
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: 4
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -215.364357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.364357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.364357 (E_RNA)
where:
Base-Base interactions energy: -142.139
where: short stacking energy: -66.932
Base-Backbone interact. energy: -0.107
local terms energy: -73.118688
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -14.524
tors. eta vs tors. theta energy: -17.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -213.465149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.465149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.465149 (E_RNA)
where:
Base-Base interactions energy: -139.731
where: short stacking energy: -65.502
Base-Backbone interact. energy: -0.014
local terms energy: -73.719988
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -20.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -99.176916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.176916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.176916 (E_RNA)
where:
Base-Base interactions energy: -39.789
where: short stacking energy: -37.040
Base-Backbone interact. energy: -0.088
local terms energy: -59.299284
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -10.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -99.461952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.461952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.461952 (E_RNA)
where:
Base-Base interactions energy: -41.589
where: short stacking energy: -30.647
Base-Backbone interact. energy: 0.459
local terms energy: -58.331332
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -7.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -129.728927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.728927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.728927 (E_RNA)
where:
Base-Base interactions energy: -79.574
where: short stacking energy: -32.701
Base-Backbone interact. energy: 2.580
local terms energy: -52.734704
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -16.669
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -4.131
tors. eta vs tors. theta energy: -6.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -80.132220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.132220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.132220 (E_RNA)
where:
Base-Base interactions energy: -31.839
where: short stacking energy: -30.948
Base-Backbone interact. energy: -0.035
local terms energy: -48.258389
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -10.513
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -81.023020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.023020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.023020 (E_RNA)
where:
Base-Base interactions energy: -31.179
where: short stacking energy: -25.869
Base-Backbone interact. energy: -0.129
local terms energy: -49.714716
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -8.789
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -4.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -223.483771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.483771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.483771 (E_RNA)
where:
Base-Base interactions energy: -153.012
where: short stacking energy: -66.292
Base-Backbone interact. energy: -0.071
local terms energy: -70.400764
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -12.008
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -20.375
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: 5
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -219.408180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.408180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.408180 (E_RNA)
where:
Base-Base interactions energy: -146.580
where: short stacking energy: -62.142
Base-Backbone interact. energy: -0.004
local terms energy: -72.824474
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -11.762
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -22.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -221.934966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.934966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.934966 (E_RNA)
where:
Base-Base interactions energy: -147.633
where: short stacking energy: -66.395
Base-Backbone interact. energy: -0.007
local terms energy: -74.294748
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -12.417
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -18.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -203.369343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.369343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.369343 (E_RNA)
where:
Base-Base interactions energy: -138.241
where: short stacking energy: -62.293
Base-Backbone interact. energy: -0.020
local terms energy: -65.107903
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -4.571
tors. eta vs tors. theta energy: -18.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -185.533048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.533048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.533048 (E_RNA)
where:
Base-Base interactions energy: -122.305
where: short stacking energy: -49.211
Base-Backbone interact. energy: 0.271
local terms energy: -63.499074
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -12.002
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: 6
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -87.327093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.327093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.327093 (E_RNA)
where:
Base-Base interactions energy: -33.893
where: short stacking energy: -26.204
Base-Backbone interact. energy: -0.272
local terms energy: -53.161383
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -3.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -162.294576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.294576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.294576 (E_RNA)
where:
Base-Base interactions energy: -112.064
where: short stacking energy: -45.474
Base-Backbone interact. energy: -0.073
local terms energy: -50.157263
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -6.783
flat angles C4'-P-C4' energy: -9.813
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -9.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -97.462407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.462407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.462407 (E_RNA)
where:
Base-Base interactions energy: -41.706
where: short stacking energy: -18.679
Base-Backbone interact. energy: -0.156
local terms energy: -55.601133
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -4.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -86.697492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.697492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.697492 (E_RNA)
where:
Base-Base interactions energy: -35.229
where: short stacking energy: -35.829
Base-Backbone interact. energy: -0.108
local terms energy: -51.360720
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -3.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -71.282327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.282327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.282327 (E_RNA)
where:
Base-Base interactions energy: -33.128
where: short stacking energy: -24.881
Base-Backbone interact. energy: -0.227
local terms energy: -37.927291
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -10.624
flat angles P-C4'-P energy: -5.420
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: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -221.217121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.217121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.217121 (E_RNA)
where:
Base-Base interactions energy: -147.786
where: short stacking energy: -67.716
Base-Backbone interact. energy: -0.110
local terms energy: -73.321134
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -17.423
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: 2, replica: 4
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -220.973936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.973936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.973936 (E_RNA)
where:
Base-Base interactions energy: -147.100
where: short stacking energy: -73.127
Base-Backbone interact. energy: -0.013
local terms energy: -73.860364
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -22.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -215.173989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.173989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.173989 (E_RNA)
where:
Base-Base interactions energy: -137.432
where: short stacking energy: -68.871
Base-Backbone interact. energy: -0.124
local terms energy: -77.617994
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -22.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -208.714067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.714067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.714067 (E_RNA)
where:
Base-Base interactions energy: -129.759
where: short stacking energy: -62.983
Base-Backbone interact. energy: -0.017
local terms energy: -78.938151
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -21.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -203.362426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.362426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.362426 (E_RNA)
where:
Base-Base interactions energy: -132.059
where: short stacking energy: -54.793
Base-Backbone interact. energy: -0.042
local terms energy: -71.261725
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -20.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -159.978634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.978634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.978634 (E_RNA)
where:
Base-Base interactions energy: -102.315
where: short stacking energy: -48.860
Base-Backbone interact. energy: -0.007
local terms energy: -57.656437
where:
bonds (distance) C4'-P energy: -10.647
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -10.537
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: -13.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -101.520871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.520871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.520871 (E_RNA)
where:
Base-Base interactions energy: -37.733
where: short stacking energy: -33.831
Base-Backbone interact. energy: -0.041
local terms energy: -63.746780
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -11.863
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -10.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -95.423139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.423139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.423139 (E_RNA)
where:
Base-Base interactions energy: -41.952
where: short stacking energy: -38.460
Base-Backbone interact. energy: 0.549
local terms energy: -54.019965
where:
bonds (distance) C4'-P energy: -9.392
bonds (distance) P-C4' energy: -12.515
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -5.972
tors. eta vs tors. theta energy: -11.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -81.688330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.688330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.688330 (E_RNA)
where:
Base-Base interactions energy: -36.432
where: short stacking energy: -36.432
Base-Backbone interact. energy: 0.557
local terms energy: -45.813993
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -4.996
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -8.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -72.074158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.074158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.074158 (E_RNA)
where:
Base-Base interactions energy: -30.150
where: short stacking energy: -27.639
Base-Backbone interact. energy: -0.102
local terms energy: -41.822361
where:
bonds (distance) C4'-P energy: -6.220
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: 0.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -224.253238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.253238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.253238 (E_RNA)
where:
Base-Base interactions energy: -143.452
where: short stacking energy: -65.727
Base-Backbone interact. energy: -0.017
local terms energy: -80.784441
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -20.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -219.931699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.931699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.931699 (E_RNA)
where:
Base-Base interactions energy: -147.061
where: short stacking energy: -67.437
Base-Backbone interact. energy: -0.115
local terms energy: -72.756252
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -19.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -211.577393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.577393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.577393 (E_RNA)
where:
Base-Base interactions energy: -134.682
where: short stacking energy: -68.680
Base-Backbone interact. energy: -0.004
local terms energy: -76.891104
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -10.303
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -21.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -175.282562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.282562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.282562 (E_RNA)
where:
Base-Base interactions energy: -105.649
where: short stacking energy: -56.648
Base-Backbone interact. energy: -0.291
local terms energy: -69.342637
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -15.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -206.473737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.473737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.473737 (E_RNA)
where:
Base-Base interactions energy: -134.773
where: short stacking energy: -65.008
Base-Backbone interact. energy: -0.577
local terms energy: -71.123409
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -15.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -163.429859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.429859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.429859 (E_RNA)
where:
Base-Base interactions energy: -98.114
where: short stacking energy: -47.000
Base-Backbone interact. energy: -0.045
local terms energy: -65.271496
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -12.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -96.896206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.896206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.896206 (E_RNA)
where:
Base-Base interactions energy: -42.202
where: short stacking energy: -39.143
Base-Backbone interact. energy: -0.127
local terms energy: -54.568064
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -4.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -85.155687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.155687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.155687 (E_RNA)
where:
Base-Base interactions energy: -37.091
where: short stacking energy: -23.369
Base-Backbone interact. energy: -0.165
local terms energy: -47.899025
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -2.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -85.002495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.002495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.002495 (E_RNA)
where:
Base-Base interactions energy: -26.159
where: short stacking energy: -17.533
Base-Backbone interact. energy: -0.099
local terms energy: -58.744002
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -3.996
tors. eta vs tors. theta energy: -8.956
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: 9
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -76.602190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.602190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.602190 (E_RNA)
where:
Base-Base interactions energy: -30.520
where: short stacking energy: -26.562
Base-Backbone interact. energy: -0.071
local terms energy: -46.011279
where:
bonds (distance) C4'-P energy: -8.307
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -9.597
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -6.505
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: 4
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -220.579948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.579948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.579948 (E_RNA)
where:
Base-Base interactions energy: -143.186
where: short stacking energy: -59.649
Base-Backbone interact. energy: -0.106
local terms energy: -77.288518
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -18.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -218.993806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.993806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.993806 (E_RNA)
where:
Base-Base interactions energy: -143.180
where: short stacking energy: -56.898
Base-Backbone interact. energy: -0.110
local terms energy: -75.704454
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -14.147
tors. eta vs tors. theta energy: -15.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -210.097425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.097425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.097425 (E_RNA)
where:
Base-Base interactions energy: -140.600
where: short stacking energy: -56.714
Base-Backbone interact. energy: -0.005
local terms energy: -69.492577
where:
bonds (distance) C4'-P energy: -9.448
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -21.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -206.619780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.619780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.619780 (E_RNA)
where:
Base-Base interactions energy: -140.472
where: short stacking energy: -53.217
Base-Backbone interact. energy: -0.078
local terms energy: -66.070339
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -15.074
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -12.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -187.249191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.249191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.249191 (E_RNA)
where:
Base-Base interactions energy: -134.896
where: short stacking energy: -61.737
Base-Backbone interact. energy: -0.010
local terms energy: -52.342445
where:
bonds (distance) C4'-P energy: -9.585
bonds (distance) P-C4' energy: -10.358
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -6.055
tors. eta vs tors. theta energy: -14.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -167.636782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.636782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.636782 (E_RNA)
where:
Base-Base interactions energy: -106.755
where: short stacking energy: -52.522
Base-Backbone interact. energy: -0.006
local terms energy: -60.875798
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -6.720
tors. eta vs tors. theta energy: -13.506
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: 6
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -95.640240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.640240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.640240 (E_RNA)
where:
Base-Base interactions energy: -39.254
where: short stacking energy: -31.298
Base-Backbone interact. energy: -0.178
local terms energy: -56.209084
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -10.624
flat angles C4'-P-C4' energy: -18.488
flat angles P-C4'-P energy: -5.530
tors. eta vs tors. theta energy: -8.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -82.613405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.613405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.613405 (E_RNA)
where:
Base-Base interactions energy: -26.111
where: short stacking energy: -26.111
Base-Backbone interact. energy: 0.117
local terms energy: -56.619640
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -5.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -83.394571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.394571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.394571 (E_RNA)
where:
Base-Base interactions energy: -26.433
where: short stacking energy: -26.433
Base-Backbone interact. energy: -0.017
local terms energy: -56.945106
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -7.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -72.318037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.318037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.318037 (E_RNA)
where:
Base-Base interactions energy: -27.092
where: short stacking energy: -23.244
Base-Backbone interact. energy: -0.085
local terms energy: -45.140519
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -10.585
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -0.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -221.757402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.757402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.757402 (E_RNA)
where:
Base-Base interactions energy: -151.624
where: short stacking energy: -64.305
Base-Backbone interact. energy: -0.674
local terms energy: -69.459523
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -16.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -219.831095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.831095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.831095 (E_RNA)
where:
Base-Base interactions energy: -142.534
where: short stacking energy: -64.520
Base-Backbone interact. energy: -0.155
local terms energy: -77.142615
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -17.691
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -20.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -218.285951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.285951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.285951 (E_RNA)
where:
Base-Base interactions energy: -144.465
where: short stacking energy: -64.435
Base-Backbone interact. energy: -0.332
local terms energy: -73.489374
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -18.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -179.941021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.941021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.941021 (E_RNA)
where:
Base-Base interactions energy: -113.463
where: short stacking energy: -50.887
Base-Backbone interact. energy: -0.468
local terms energy: -66.010675
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -12.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -177.940272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.940272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.940272 (E_RNA)
where:
Base-Base interactions energy: -119.507
where: short stacking energy: -55.654
Base-Backbone interact. energy: -0.543
local terms energy: -57.890641
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -8.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -175.340113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.340113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.340113 (E_RNA)
where:
Base-Base interactions energy: -115.239
where: short stacking energy: -51.537
Base-Backbone interact. energy: -0.242
local terms energy: -59.859394
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -8.792
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -12.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -88.768574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.768574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.768574 (E_RNA)
where:
Base-Base interactions energy: -33.240
where: short stacking energy: -26.021
Base-Backbone interact. energy: 0.078
local terms energy: -55.606311
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -0.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -88.819674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.819674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.819674 (E_RNA)
where:
Base-Base interactions energy: -37.915
where: short stacking energy: -35.905
Base-Backbone interact. energy: -0.444
local terms energy: -50.460706
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -11.344
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -5.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -84.789733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.789733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.789733 (E_RNA)
where:
Base-Base interactions energy: -36.568
where: short stacking energy: -29.938
Base-Backbone interact. energy: -0.563
local terms energy: -47.658597
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -9.927
flat angles C4'-P-C4' energy: -7.833
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -5.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -73.140247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.140247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.140247 (E_RNA)
where:
Base-Base interactions energy: -25.561
where: short stacking energy: -25.561
Base-Backbone interact. energy: -0.073
local terms energy: -47.505883
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -8.231
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -1.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -224.179213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.179213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.179213 (E_RNA)
where:
Base-Base interactions energy: -151.021
where: short stacking energy: -68.253
Base-Backbone interact. energy: -0.102
local terms energy: -73.056896
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -23.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -220.458333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.458333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.458333 (E_RNA)
where:
Base-Base interactions energy: -146.960
where: short stacking energy: -70.209
Base-Backbone interact. energy: -0.089
local terms energy: -73.409249
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -20.115
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: 3, replica: 4
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -210.361298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.361298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.361298 (E_RNA)
where:
Base-Base interactions energy: -141.809
where: short stacking energy: -63.274
Base-Backbone interact. energy: -0.497
local terms energy: -68.055328
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -12.027
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -17.377
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: 4, replica: 10
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -168.866292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.866292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.866292 (E_RNA)
where:
Base-Base interactions energy: -116.663
where: short stacking energy: -40.966
Base-Backbone interact. energy: -0.247
local terms energy: -51.956184
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -1.131
tors. eta vs tors. theta energy: -9.905
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: 3
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -184.404891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.404891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.404891 (E_RNA)
where:
Base-Base interactions energy: -117.352
where: short stacking energy: -54.344
Base-Backbone interact. energy: -0.031
local terms energy: -67.022505
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -8.576
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -16.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -169.639563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.639563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.639563 (E_RNA)
where:
Base-Base interactions energy: -108.891
where: short stacking energy: -49.575
Base-Backbone interact. energy: -0.055
local terms energy: -60.693766
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -12.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -94.232024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.232024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.232024 (E_RNA)
where:
Base-Base interactions energy: -37.441
where: short stacking energy: -33.994
Base-Backbone interact. energy: -0.472
local terms energy: -56.319331
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -9.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -78.420807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.420807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.420807 (E_RNA)
where:
Base-Base interactions energy: -24.324
where: short stacking energy: -13.982
Base-Backbone interact. energy: -0.617
local terms energy: -53.479622
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: 2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -89.799047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.799047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.799047 (E_RNA)
where:
Base-Base interactions energy: -47.119
where: short stacking energy: -30.684
Base-Backbone interact. energy: -0.665
local terms energy: -42.015038
where:
bonds (distance) C4'-P energy: -11.546
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -10.106
flat angles P-C4'-P energy: -6.171
tors. eta vs tors. theta energy: -0.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -77.031837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.031837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.031837 (E_RNA)
where:
Base-Base interactions energy: -28.412
where: short stacking energy: -28.412
Base-Backbone interact. energy: -0.057
local terms energy: -48.562468
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -9.429
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -2.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -220.333363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.333363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.333363 (E_RNA)
where:
Base-Base interactions energy: -146.356
where: short stacking energy: -62.153
Base-Backbone interact. energy: -0.047
local terms energy: -73.930458
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -18.708
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -16.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -218.133297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.133297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.133297 (E_RNA)
where:
Base-Base interactions energy: -146.343
where: short stacking energy: -61.786
Base-Backbone interact. energy: -0.051
local terms energy: -71.739742
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -19.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -212.819430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.819430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.819430 (E_RNA)
where:
Base-Base interactions energy: -137.457
where: short stacking energy: -59.414
Base-Backbone interact. energy: -0.005
local terms energy: -75.356643
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -20.047
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: 4, replica: 10
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -203.513810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.513810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.513810 (E_RNA)
where:
Base-Base interactions energy: -140.691
where: short stacking energy: -63.027
Base-Backbone interact. energy: -0.004
local terms energy: -62.818321
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -13.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -202.617763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.617763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.617763 (E_RNA)
where:
Base-Base interactions energy: -131.928
where: short stacking energy: -66.544
Base-Backbone interact. energy: -0.002
local terms energy: -70.687997
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -16.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -165.672054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.672054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.672054 (E_RNA)
where:
Base-Base interactions energy: -104.090
where: short stacking energy: -52.904
Base-Backbone interact. energy: -0.126
local terms energy: -61.456214
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -12.298
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -10.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -89.172148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.172148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.172148 (E_RNA)
where:
Base-Base interactions energy: -40.192
where: short stacking energy: -40.192
Base-Backbone interact. energy: -0.102
local terms energy: -48.877973
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -3.222
tors. eta vs tors. theta energy: -7.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -88.955364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.955364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.955364 (E_RNA)
where:
Base-Base interactions energy: -37.091
where: short stacking energy: -37.091
Base-Backbone interact. energy: -0.140
local terms energy: -51.724777
where:
bonds (distance) C4'-P energy: -7.451
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -7.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -74.618297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.618297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.618297 (E_RNA)
where:
Base-Base interactions energy: -25.409
where: short stacking energy: -25.409
Base-Backbone interact. energy: -0.182
local terms energy: -49.026894
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -11.545
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -2.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -80.855714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.855714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.855714 (E_RNA)
where:
Base-Base interactions energy: -28.190
where: short stacking energy: -23.294
Base-Backbone interact. energy: -0.193
local terms energy: -52.472341
where:
bonds (distance) C4'-P energy: -9.835
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -7.214
tors. eta vs tors. theta energy: -4.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -224.078598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.078598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.078598 (E_RNA)
where:
Base-Base interactions energy: -154.297
where: short stacking energy: -65.165
Base-Backbone interact. energy: -0.526
local terms energy: -69.255643
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -20.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -219.173769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.173769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.173769 (E_RNA)
where:
Base-Base interactions energy: -149.511
where: short stacking energy: -62.696
Base-Backbone interact. energy: -1.289
local terms energy: -68.373109
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -16.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -220.065147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.065147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.065147 (E_RNA)
where:
Base-Base interactions energy: -151.198
where: short stacking energy: -68.427
Base-Backbone interact. energy: -0.065
local terms energy: -68.802080
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -18.212
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: 4, replica: 3
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -210.696967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.696967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.696967 (E_RNA)
where:
Base-Base interactions energy: -138.363
where: short stacking energy: -69.897
Base-Backbone interact. energy: -0.000
local terms energy: -72.333998
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -11.270
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -21.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -194.695109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.695109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.695109 (E_RNA)
where:
Base-Base interactions energy: -125.460
where: short stacking energy: -54.516
Base-Backbone interact. energy: 0.534
local terms energy: -69.768507
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -17.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -148.750754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.750754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.750754 (E_RNA)
where:
Base-Base interactions energy: -85.979
where: short stacking energy: -43.802
Base-Backbone interact. energy: -0.944
local terms energy: -61.828594
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -12.111
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: -8.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -100.144854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.144854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.144854 (E_RNA)
where:
Base-Base interactions energy: -44.087
where: short stacking energy: -27.018
Base-Backbone interact. energy: -0.288
local terms energy: -55.769434
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -3.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -83.341248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.341248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.341248 (E_RNA)
where:
Base-Base interactions energy: -26.292
where: short stacking energy: -22.161
Base-Backbone interact. energy: -0.427
local terms energy: -56.622686
where:
bonds (distance) C4'-P energy: -9.784
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -4.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -72.401729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.401729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.401729 (E_RNA)
where:
Base-Base interactions energy: -29.370
where: short stacking energy: -28.835
Base-Backbone interact. energy: 1.358
local terms energy: -44.390223
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -0.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -71.520851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.520851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.520851 (E_RNA)
where:
Base-Base interactions energy: -14.403
where: short stacking energy: -13.988
Base-Backbone interact. energy: 0.292
local terms energy: -57.409101
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -0.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -225.730246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.730246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.730246 (E_RNA)
where:
Base-Base interactions energy: -146.874
where: short stacking energy: -58.172
Base-Backbone interact. energy: -0.026
local terms energy: -78.830063
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -13.602
tors. eta vs tors. theta energy: -20.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -226.990620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.990620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.990620 (E_RNA)
where:
Base-Base interactions energy: -151.917
where: short stacking energy: -63.568
Base-Backbone interact. energy: -0.051
local terms energy: -75.022978
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -16.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -223.976269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.976269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.976269 (E_RNA)
where:
Base-Base interactions energy: -144.463
where: short stacking energy: -68.231
Base-Backbone interact. energy: -0.079
local terms energy: -79.433727
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -21.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -210.210136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.210136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.210136 (E_RNA)
where:
Base-Base interactions energy: -145.189
where: short stacking energy: -67.502
Base-Backbone interact. energy: -0.016
local terms energy: -65.004809
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -17.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -166.679037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.679037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.679037 (E_RNA)
where:
Base-Base interactions energy: -103.281
where: short stacking energy: -47.740
Base-Backbone interact. energy: -0.034
local terms energy: -63.364203
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -13.852
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: 6, replica: 7
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -160.606009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.606009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.606009 (E_RNA)
where:
Base-Base interactions energy: -105.457
where: short stacking energy: -44.726
Base-Backbone interact. energy: -0.037
local terms energy: -55.111468
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -12.102
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -11.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -86.547030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.547030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.547030 (E_RNA)
where:
Base-Base interactions energy: -36.337
where: short stacking energy: -27.076
Base-Backbone interact. energy: -0.219
local terms energy: -49.991128
where:
bonds (distance) C4'-P energy: -9.498
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -6.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -87.298335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.298335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.298335 (E_RNA)
where:
Base-Base interactions energy: -32.224
where: short stacking energy: -26.004
Base-Backbone interact. energy: -0.110
local terms energy: -54.964045
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -10.820
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -5.301
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: 6
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -80.130555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.130555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.130555 (E_RNA)
where:
Base-Base interactions energy: -32.663
where: short stacking energy: -32.663
Base-Backbone interact. energy: -0.092
local terms energy: -47.375347
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -10.241
flat angles C4'-P-C4' energy: -9.499
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -7.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -75.901684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.901684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.901684 (E_RNA)
where:
Base-Base interactions energy: -30.673
where: short stacking energy: -26.518
Base-Backbone interact. energy: 1.961
local terms energy: -47.189409
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -0.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -225.599032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.599032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.599032 (E_RNA)
where:
Base-Base interactions energy: -146.643
where: short stacking energy: -73.734
Base-Backbone interact. energy: 0.206
local terms energy: -79.161884
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -12.836
tors. eta vs tors. theta energy: -20.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -213.468150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.468150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.468150 (E_RNA)
where:
Base-Base interactions energy: -146.457
where: short stacking energy: -61.930
Base-Backbone interact. energy: 0.876
local terms energy: -67.887071
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -18.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -213.635393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.635393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.635393 (E_RNA)
where:
Base-Base interactions energy: -140.934
where: short stacking energy: -59.193
Base-Backbone interact. energy: -0.149
local terms energy: -72.552035
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -18.357
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: 10
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -175.822713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.822713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.822713 (E_RNA)
where:
Base-Base interactions energy: -107.937
where: short stacking energy: -48.485
Base-Backbone interact. energy: -2.405
local terms energy: -65.480541
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -11.348
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -14.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -206.363101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.363101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.363101 (E_RNA)
where:
Base-Base interactions energy: -138.092
where: short stacking energy: -64.811
Base-Backbone interact. energy: -0.116
local terms energy: -68.154268
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -11.140
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: -16.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -167.317028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.317028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.317028 (E_RNA)
where:
Base-Base interactions energy: -100.935
where: short stacking energy: -43.459
Base-Backbone interact. energy: -0.171
local terms energy: -66.210880
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -13.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -90.349027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.349027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.349027 (E_RNA)
where:
Base-Base interactions energy: -32.644
where: short stacking energy: -32.644
Base-Backbone interact. energy: -0.022
local terms energy: -57.683177
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -12.315
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -5.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -79.792472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.792472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.792472 (E_RNA)
where:
Base-Base interactions energy: -35.106
where: short stacking energy: -33.121
Base-Backbone interact. energy: -0.156
local terms energy: -44.530318
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -4.413
tors. eta vs tors. theta energy: -2.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -80.652090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.652090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.652090 (E_RNA)
where:
Base-Base interactions energy: -26.864
where: short stacking energy: -24.813
Base-Backbone interact. energy: -0.185
local terms energy: -53.603429
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -2.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -73.833461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.833461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.833461 (E_RNA)
where:
Base-Base interactions energy: -28.605
where: short stacking energy: -23.851
Base-Backbone interact. energy: -1.344
local terms energy: -43.885093
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -3.637
tors. eta vs tors. theta energy: -0.807
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: 1, replica: 5
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -229.013896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.013896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.013896 (E_RNA)
where:
Base-Base interactions energy: -149.446
where: short stacking energy: -67.202
Base-Backbone interact. energy: -0.008
local terms energy: -79.560236
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -18.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -223.428033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.428033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.428033 (E_RNA)
where:
Base-Base interactions energy: -145.917
where: short stacking energy: -70.546
Base-Backbone interact. energy: -0.006
local terms energy: -77.505373
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -13.269
tors. eta vs tors. theta energy: -19.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -216.753467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.753467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.753467 (E_RNA)
where:
Base-Base interactions energy: -142.615
where: short stacking energy: -66.284
Base-Backbone interact. energy: -0.015
local terms energy: -74.123195
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -17.997
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -17.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -203.566228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.566228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.566228 (E_RNA)
where:
Base-Base interactions energy: -138.666
where: short stacking energy: -52.007
Base-Backbone interact. energy: -0.094
local terms energy: -64.807106
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -12.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -189.499063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.499063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.499063 (E_RNA)
where:
Base-Base interactions energy: -126.917
where: short stacking energy: -53.370
Base-Backbone interact. energy: -0.486
local terms energy: -62.096038
where:
bonds (distance) C4'-P energy: -6.848
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -16.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -195.346380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.346380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.346380 (E_RNA)
where:
Base-Base interactions energy: -125.342
where: short stacking energy: -60.596
Base-Backbone interact. energy: 0.213
local terms energy: -70.217014
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -18.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -98.734773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.734773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.734773 (E_RNA)
where:
Base-Base interactions energy: -32.177
where: short stacking energy: -30.039
Base-Backbone interact. energy: -0.068
local terms energy: -66.490062
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -8.501
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: 8
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -79.392186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.392186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.392186 (E_RNA)
where:
Base-Base interactions energy: -26.390
where: short stacking energy: -15.091
Base-Backbone interact. energy: -0.155
local terms energy: -52.847083
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -8.172
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: 9, replica: 1
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -97.310596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.310596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.310596 (E_RNA)
where:
Base-Base interactions energy: -50.226
where: short stacking energy: -27.456
Base-Backbone interact. energy: 0.518
local terms energy: -47.602709
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -11.484
flat angles C4'-P-C4' energy: -9.708
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -4.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -87.731402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.731402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.731402 (E_RNA)
where:
Base-Base interactions energy: -33.633
where: short stacking energy: -29.855
Base-Backbone interact. energy: -0.022
local terms energy: -54.077080
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -14.090
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -8.933
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: 5
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -226.007849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.007849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.007849 (E_RNA)
where:
Base-Base interactions energy: -148.769
where: short stacking energy: -69.713
Base-Backbone interact. energy: -0.095
local terms energy: -77.143828
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -17.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -230.069588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.069588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.069588 (E_RNA)
where:
Base-Base interactions energy: -155.411
where: short stacking energy: -69.682
Base-Backbone interact. energy: -0.109
local terms energy: -74.549806
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: -21.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -211.121177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.121177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.121177 (E_RNA)
where:
Base-Base interactions energy: -142.472
where: short stacking energy: -71.552
Base-Backbone interact. energy: -0.839
local terms energy: -67.810582
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -13.431
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -16.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -211.323300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.323300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.323300 (E_RNA)
where:
Base-Base interactions energy: -139.611
where: short stacking energy: -64.946
Base-Backbone interact. energy: -0.049
local terms energy: -71.663612
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -19.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -193.249502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.249502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.249502 (E_RNA)
where:
Base-Base interactions energy: -128.376
where: short stacking energy: -56.236
Base-Backbone interact. energy: -0.420
local terms energy: -64.453427
where:
bonds (distance) C4'-P energy: -10.247
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -14.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -185.912915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.912915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.912915 (E_RNA)
where:
Base-Base interactions energy: -119.127
where: short stacking energy: -59.015
Base-Backbone interact. energy: -0.228
local terms energy: -66.557953
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -15.283
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: 6
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -91.545160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.545160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.545160 (E_RNA)
where:
Base-Base interactions energy: -35.447
where: short stacking energy: -31.589
Base-Backbone interact. energy: -1.464
local terms energy: -54.634050
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -9.904
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -3.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -87.392417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.392417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.392417 (E_RNA)
where:
Base-Base interactions energy: -37.836
where: short stacking energy: -37.694
Base-Backbone interact. energy: 0.080
local terms energy: -49.636594
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -8.680
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: -3.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -81.577957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.577957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.577957 (E_RNA)
where:
Base-Base interactions energy: -38.618
where: short stacking energy: -36.240
Base-Backbone interact. energy: -0.319
local terms energy: -42.641384
where:
bonds (distance) C4'-P energy: -9.282
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -4.720
tors. eta vs tors. theta energy: -6.145
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: 441
Temperature: 1.350000
Total energy: -72.115316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.115316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.115316 (E_RNA)
where:
Base-Base interactions energy: -24.384
where: short stacking energy: -21.958
Base-Backbone interact. energy: -0.704
local terms energy: -47.027428
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: 2.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -220.688460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.688460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.688460 (E_RNA)
where:
Base-Base interactions energy: -140.921
where: short stacking energy: -67.456
Base-Backbone interact. energy: -0.064
local terms energy: -79.703262
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -20.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -224.039092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.039092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.039092 (E_RNA)
where:
Base-Base interactions energy: -147.326
where: short stacking energy: -66.121
Base-Backbone interact. energy: -0.085
local terms energy: -76.628272
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -21.804
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: 10
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -216.531048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.531048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.531048 (E_RNA)
where:
Base-Base interactions energy: -136.201
where: short stacking energy: -63.444
Base-Backbone interact. energy: -0.036
local terms energy: -80.294177
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -19.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -209.842742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.842742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.842742 (E_RNA)
where:
Base-Base interactions energy: -130.469
where: short stacking energy: -57.981
Base-Backbone interact. energy: -0.176
local terms energy: -79.198139
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -16.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -195.126368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.126368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.126368 (E_RNA)
where:
Base-Base interactions energy: -130.024
where: short stacking energy: -64.292
Base-Backbone interact. energy: -0.009
local terms energy: -65.093066
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -10.786
flat angles C4'-P-C4' energy: -9.950
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -19.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -200.060897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.060897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.060897 (E_RNA)
where:
Base-Base interactions energy: -134.573
where: short stacking energy: -69.418
Base-Backbone interact. energy: -0.536
local terms energy: -64.951455
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -5.219
tors. eta vs tors. theta energy: -19.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -85.959995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.959995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.959995 (E_RNA)
where:
Base-Base interactions energy: -25.901
where: short stacking energy: -25.901
Base-Backbone interact. energy: -0.649
local terms energy: -59.410557
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -3.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -83.106983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.106983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.106983 (E_RNA)
where:
Base-Base interactions energy: -29.319
where: short stacking energy: -28.102
Base-Backbone interact. energy: -0.145
local terms energy: -53.642523
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -4.743
tors. eta vs tors. theta energy: -3.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -83.062327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.062327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.062327 (E_RNA)
where:
Base-Base interactions energy: -33.653
where: short stacking energy: -26.277
Base-Backbone interact. energy: -0.114
local terms energy: -49.295261
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -4.577
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -6.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -71.661958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.661958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.661958 (E_RNA)
where:
Base-Base interactions energy: -26.373
where: short stacking energy: -16.403
Base-Backbone interact. energy: -0.185
local terms energy: -45.103647
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -9.774
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -2.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -225.670747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.670747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.670747 (E_RNA)
where:
Base-Base interactions energy: -150.558
where: short stacking energy: -70.891
Base-Backbone interact. energy: -0.028
local terms energy: -75.085438
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -23.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -225.681599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.681599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.681599 (E_RNA)
where:
Base-Base interactions energy: -152.419
where: short stacking energy: -65.485
Base-Backbone interact. energy: -0.025
local terms energy: -73.237340
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -20.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -209.456899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.456899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.456899 (E_RNA)
where:
Base-Base interactions energy: -136.262
where: short stacking energy: -63.499
Base-Backbone interact. energy: -0.038
local terms energy: -73.156726
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -20.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -210.709060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.709060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.709060 (E_RNA)
where:
Base-Base interactions energy: -139.229
where: short stacking energy: -68.338
Base-Backbone interact. energy: -0.160
local terms energy: -71.320673
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -7.571
tors. eta vs tors. theta energy: -19.323
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: 2
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -206.005442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.005442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.005442 (E_RNA)
where:
Base-Base interactions energy: -137.651
where: short stacking energy: -71.018
Base-Backbone interact. energy: 2.045
local terms energy: -70.400231
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -5.815
tors. eta vs tors. theta energy: -18.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -168.728074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.728074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.728074 (E_RNA)
where:
Base-Base interactions energy: -102.146
where: short stacking energy: -48.417
Base-Backbone interact. energy: -0.116
local terms energy: -66.466180
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -15.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -100.708007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.708007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.708007 (E_RNA)
where:
Base-Base interactions energy: -46.385
where: short stacking energy: -17.214
Base-Backbone interact. energy: -0.339
local terms energy: -53.984078
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -14.087
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: 8, replica: 9
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -85.901413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.901413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.901413 (E_RNA)
where:
Base-Base interactions energy: -34.369
where: short stacking energy: -33.452
Base-Backbone interact. energy: -0.070
local terms energy: -51.462890
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -2.131
tors. eta vs tors. theta energy: -7.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -81.776797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.776797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.776797 (E_RNA)
where:
Base-Base interactions energy: -35.346
where: short stacking energy: -33.070
Base-Backbone interact. energy: -0.120
local terms energy: -46.310820
where:
bonds (distance) C4'-P energy: -10.002
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -1.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -74.310752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.310752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.310752 (E_RNA)
where:
Base-Base interactions energy: -25.727
where: short stacking energy: -23.254
Base-Backbone interact. energy: -0.332
local terms energy: -48.251740
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -4.821
tors. eta vs tors. theta energy: 0.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -225.573303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.573303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.573303 (E_RNA)
where:
Base-Base interactions energy: -148.813
where: short stacking energy: -66.933
Base-Backbone interact. energy: -0.034
local terms energy: -76.726978
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -22.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -228.632813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.632813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.632813 (E_RNA)
where:
Base-Base interactions energy: -154.754
where: short stacking energy: -66.568
Base-Backbone interact. energy: -0.587
local terms energy: -73.291782
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -5.931
tors. eta vs tors. theta energy: -17.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -199.432486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.432486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.432486 (E_RNA)
where:
Base-Base interactions energy: -131.424
where: short stacking energy: -56.998
Base-Backbone interact. energy: -0.623
local terms energy: -67.384967
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -16.341
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: 4, replica: 10
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -217.683582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.683582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.683582 (E_RNA)
where:
Base-Base interactions energy: -135.485
where: short stacking energy: -62.453
Base-Backbone interact. energy: -0.001
local terms energy: -82.197209
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -13.848
tors. eta vs tors. theta energy: -19.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -200.068812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.068812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.068812 (E_RNA)
where:
Base-Base interactions energy: -129.198
where: short stacking energy: -61.121
Base-Backbone interact. energy: -0.197
local terms energy: -70.673758
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -16.769
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: 6, replica: 2
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -191.887765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.887765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.887765 (E_RNA)
where:
Base-Base interactions energy: -121.238
where: short stacking energy: -66.020
Base-Backbone interact. energy: -0.034
local terms energy: -70.615682
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -18.474
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: 1
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -98.680787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.680787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.680787 (E_RNA)
where:
Base-Base interactions energy: -47.368
where: short stacking energy: -28.004
Base-Backbone interact. energy: -0.624
local terms energy: -50.688758
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -10.290
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -3.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -94.134062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.134062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.134062 (E_RNA)
where:
Base-Base interactions energy: -37.872
where: short stacking energy: -21.660
Base-Backbone interact. energy: -0.010
local terms energy: -56.252836
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -1.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -86.502556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.502556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.502556 (E_RNA)
where:
Base-Base interactions energy: -33.880
where: short stacking energy: -27.669
Base-Backbone interact. energy: 0.560
local terms energy: -53.182598
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -10.900
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -6.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -95.792527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.792527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.792527 (E_RNA)
where:
Base-Base interactions energy: -37.078
where: short stacking energy: -34.345
Base-Backbone interact. energy: -0.125
local terms energy: -58.589700
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -8.802
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: 1, replica: 3
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -232.527191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.527191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.527191 (E_RNA)
where:
Base-Base interactions energy: -158.246
where: short stacking energy: -71.564
Base-Backbone interact. energy: -0.044
local terms energy: -74.237549
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -18.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -218.860208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.860208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.860208 (E_RNA)
where:
Base-Base interactions energy: -149.448
where: short stacking energy: -60.278
Base-Backbone interact. energy: -0.140
local terms energy: -69.271923
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -15.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -220.197581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.197581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.197581 (E_RNA)
where:
Base-Base interactions energy: -138.262
where: short stacking energy: -66.951
Base-Backbone interact. energy: -0.235
local terms energy: -81.700758
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -19.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -211.627700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.627700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.627700 (E_RNA)
where:
Base-Base interactions energy: -139.962
where: short stacking energy: -64.706
Base-Backbone interact. energy: -0.062
local terms energy: -71.603933
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -12.051
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -18.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -194.682116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.682116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.682116 (E_RNA)
where:
Base-Base interactions energy: -122.262
where: short stacking energy: -62.551
Base-Backbone interact. energy: -0.058
local terms energy: -72.361937
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -14.010
tors. eta vs tors. theta energy: -17.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -189.120557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.120557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.120557 (E_RNA)
where:
Base-Base interactions energy: -122.216
where: short stacking energy: -52.116
Base-Backbone interact. energy: 0.363
local terms energy: -67.266819
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -11.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -91.269673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.269673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.269673 (E_RNA)
where:
Base-Base interactions energy: -36.018
where: short stacking energy: -35.699
Base-Backbone interact. energy: -0.335
local terms energy: -54.917120
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -11.108
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -5.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -88.210729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.210729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.210729 (E_RNA)
where:
Base-Base interactions energy: -41.476
where: short stacking energy: -36.849
Base-Backbone interact. energy: 0.539
local terms energy: -47.274033
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -7.605
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -8.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -90.570286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.570286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.570286 (E_RNA)
where:
Base-Base interactions energy: -41.372
where: short stacking energy: -28.518
Base-Backbone interact. energy: -0.073
local terms energy: -49.124957
where:
bonds (distance) C4'-P energy: -10.112
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -6.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -78.763295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.763295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.763295 (E_RNA)
where:
Base-Base interactions energy: -31.166
where: short stacking energy: -23.975
Base-Backbone interact. energy: 0.715
local terms energy: -48.311655
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -4.566
tors. eta vs tors. theta energy: -1.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -232.146261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.146261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.146261 (E_RNA)
where:
Base-Base interactions energy: -152.319
where: short stacking energy: -66.473
Base-Backbone interact. energy: -0.004
local terms energy: -79.823261
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -17.379
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -18.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -224.150961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.150961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.150961 (E_RNA)
where:
Base-Base interactions energy: -145.875
where: short stacking energy: -66.470
Base-Backbone interact. energy: 0.488
local terms energy: -78.763508
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -20.263
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: 3, replica: 10
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -219.846631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.846631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.846631 (E_RNA)
where:
Base-Base interactions energy: -143.649
where: short stacking energy: -62.039
Base-Backbone interact. energy: -0.012
local terms energy: -76.185887
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -17.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -221.015079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.015079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.015079 (E_RNA)
where:
Base-Base interactions energy: -143.165
where: short stacking energy: -68.194
Base-Backbone interact. energy: -0.030
local terms energy: -77.820076
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -19.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -184.919443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.919443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.919443 (E_RNA)
where:
Base-Base interactions energy: -134.288
where: short stacking energy: -50.809
Base-Backbone interact. energy: 0.286
local terms energy: -50.916968
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -10.930
flat angles C4'-P-C4' energy: -10.113
flat angles P-C4'-P energy: -5.368
tors. eta vs tors. theta energy: -11.609
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: 4
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -174.130569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.130569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.130569 (E_RNA)
where:
Base-Base interactions energy: -114.298
where: short stacking energy: -50.588
Base-Backbone interact. energy: -0.350
local terms energy: -59.482359
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -10.431
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -11.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -97.202133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.202133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.202133 (E_RNA)
where:
Base-Base interactions energy: -37.100
where: short stacking energy: -30.613
Base-Backbone interact. energy: -0.147
local terms energy: -59.955175
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -6.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -81.545854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.545854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.545854 (E_RNA)
where:
Base-Base interactions energy: -36.967
where: short stacking energy: -24.899
Base-Backbone interact. energy: -0.329
local terms energy: -44.250014
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -3.470
tors. eta vs tors. theta energy: 3.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -83.579913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.579913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.579913 (E_RNA)
where:
Base-Base interactions energy: -39.233
where: short stacking energy: -34.080
Base-Backbone interact. energy: -0.117
local terms energy: -44.230721
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -10.521
flat angles P-C4'-P energy: -1.389
tors. eta vs tors. theta energy: -7.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -83.457847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.457847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.457847 (E_RNA)
where:
Base-Base interactions energy: -33.064
where: short stacking energy: -21.075
Base-Backbone interact. energy: -0.965
local terms energy: -49.429177
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -9.637
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -226.503862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.503862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.503862 (E_RNA)
where:
Base-Base interactions energy: -154.975
where: short stacking energy: -61.169
Base-Backbone interact. energy: 1.782
local terms energy: -73.310858
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -17.806
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: 10
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -222.449732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.449732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.449732 (E_RNA)
where:
Base-Base interactions energy: -159.212
where: short stacking energy: -67.213
Base-Backbone interact. energy: -0.007
local terms energy: -63.230914
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -4.293
tors. eta vs tors. theta energy: -16.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -212.341602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.341602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.341602 (E_RNA)
where:
Base-Base interactions energy: -138.553
where: short stacking energy: -64.823
Base-Backbone interact. energy: -0.168
local terms energy: -73.620504
where:
bonds (distance) C4'-P energy: -9.091
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -18.664
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -18.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -197.252149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.252149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.252149 (E_RNA)
where:
Base-Base interactions energy: -132.346
where: short stacking energy: -58.943
Base-Backbone interact. energy: -0.173
local terms energy: -64.733146
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -12.140
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: 5, replica: 5
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -211.349607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.349607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.349607 (E_RNA)
where:
Base-Base interactions energy: -127.502
where: short stacking energy: -73.220
Base-Backbone interact. energy: -0.594
local terms energy: -83.253799
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -24.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -183.178894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.178894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.178894 (E_RNA)
where:
Base-Base interactions energy: -129.481
where: short stacking energy: -54.932
Base-Backbone interact. energy: -0.028
local terms energy: -53.669767
where:
bonds (distance) C4'-P energy: -6.121
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -12.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -88.404179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.404179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.404179 (E_RNA)
where:
Base-Base interactions energy: -29.792
where: short stacking energy: -29.208
Base-Backbone interact. energy: 0.023
local terms energy: -58.635192
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -4.495
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: 1
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -74.502496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.502496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.502496 (E_RNA)
where:
Base-Base interactions energy: -20.996
where: short stacking energy: -19.456
Base-Backbone interact. energy: -0.064
local terms energy: -53.442121
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -3.394
tors. eta vs tors. theta energy: -3.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -93.991091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.991091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.991091 (E_RNA)
where:
Base-Base interactions energy: -44.179
where: short stacking energy: -21.184
Base-Backbone interact. energy: -0.228
local terms energy: -49.584321
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -3.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -75.981267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.981267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.981267 (E_RNA)
where:
Base-Base interactions energy: -31.723
where: short stacking energy: -29.957
Base-Backbone interact. energy: -0.163
local terms energy: -44.095724
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -4.312
tors. eta vs tors. theta energy: 0.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -226.326628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.326628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.326628 (E_RNA)
where:
Base-Base interactions energy: -150.746
where: short stacking energy: -66.091
Base-Backbone interact. energy: -0.085
local terms energy: -75.495110
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -18.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -217.937211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.937211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.937211 (E_RNA)
where:
Base-Base interactions energy: -148.624
where: short stacking energy: -67.999
Base-Backbone interact. energy: -0.013
local terms energy: -69.300122
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -5.581
tors. eta vs tors. theta energy: -18.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -219.908419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.908419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.908419 (E_RNA)
where:
Base-Base interactions energy: -145.839
where: short stacking energy: -70.584
Base-Backbone interact. energy: -0.120
local terms energy: -73.949133
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -19.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -202.361102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.361102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.361102 (E_RNA)
where:
Base-Base interactions energy: -131.844
where: short stacking energy: -57.091
Base-Backbone interact. energy: -0.616
local terms energy: -69.900887
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -15.696
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -16.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -186.730596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.730596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.730596 (E_RNA)
where:
Base-Base interactions energy: -122.353
where: short stacking energy: -56.449
Base-Backbone interact. energy: -1.336
local terms energy: -63.041725
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -14.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -191.320648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.320648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.320648 (E_RNA)
where:
Base-Base interactions energy: -119.783
where: short stacking energy: -55.952
Base-Backbone interact. energy: -0.002
local terms energy: -71.535776
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -19.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -81.245805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.245805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.245805 (E_RNA)
where:
Base-Base interactions energy: -30.390
where: short stacking energy: -17.833
Base-Backbone interact. energy: -0.907
local terms energy: -49.948594
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -3.773
tors. eta vs tors. theta energy: -1.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -117.176075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.176075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.176075 (E_RNA)
where:
Base-Base interactions energy: -60.035
where: short stacking energy: -31.770
Base-Backbone interact. energy: -0.056
local terms energy: -57.084404
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -16.475
flat angles C4'-P-C4' energy: -10.721
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -9.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -84.654318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.654318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.654318 (E_RNA)
where:
Base-Base interactions energy: -35.167
where: short stacking energy: -19.974
Base-Backbone interact. energy: -0.588
local terms energy: -48.899462
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: 2.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -77.532815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.532815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.532815 (E_RNA)
where:
Base-Base interactions energy: -19.997
where: short stacking energy: -19.211
Base-Backbone interact. energy: -0.155
local terms energy: -57.380867
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -9.809
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -3.533
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: 449
Temperature: 0.900000
Total energy: -228.842673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.842673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.842673 (E_RNA)
where:
Base-Base interactions energy: -160.146
where: short stacking energy: -62.451
Base-Backbone interact. energy: -0.199
local terms energy: -68.498156
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -4.957
tors. eta vs tors. theta energy: -20.512
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: 449
Temperature: 0.950000
Total energy: -216.391609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.391609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.391609 (E_RNA)
where:
Base-Base interactions energy: -141.930
where: short stacking energy: -65.204
Base-Backbone interact. energy: 0.706
local terms energy: -75.167865
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -17.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -205.035001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.035001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.035001 (E_RNA)
where:
Base-Base interactions energy: -128.586
where: short stacking energy: -63.482
Base-Backbone interact. energy: -0.025
local terms energy: -76.424258
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -18.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -194.660008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.660008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.660008 (E_RNA)
where:
Base-Base interactions energy: -124.135
where: short stacking energy: -56.458
Base-Backbone interact. energy: -0.122
local terms energy: -70.402194
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -14.148
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: 5, replica: 2
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -188.833710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.833710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.833710 (E_RNA)
where:
Base-Base interactions energy: -119.834
where: short stacking energy: -54.450
Base-Backbone interact. energy: -0.788
local terms energy: -68.211451
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -16.045
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: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -184.181962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.181962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.181962 (E_RNA)
where:
Base-Base interactions energy: -119.783
where: short stacking energy: -52.893
Base-Backbone interact. energy: -0.477
local terms energy: -63.921744
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -13.981
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: 7, replica: 1
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -84.576042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.576042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.576042 (E_RNA)
where:
Base-Base interactions energy: -43.274
where: short stacking energy: -30.520
Base-Backbone interact. energy: -0.590
local terms energy: -40.711999
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -9.609
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -5.729
tors. eta vs tors. theta energy: -1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -93.795130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.795130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.795130 (E_RNA)
where:
Base-Base interactions energy: -38.259
where: short stacking energy: -30.817
Base-Backbone interact. energy: -0.185
local terms energy: -55.351445
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -4.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -90.888891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.888891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.888891 (E_RNA)
where:
Base-Base interactions energy: -46.806
where: short stacking energy: -40.021
Base-Backbone interact. energy: -0.030
local terms energy: -44.052101
where:
bonds (distance) C4'-P energy: -8.294
bonds (distance) P-C4' energy: -6.942
flat angles C4'-P-C4' energy: -10.444
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -7.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -76.658935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.658935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.658935 (E_RNA)
where:
Base-Base interactions energy: -29.272
where: short stacking energy: -20.015
Base-Backbone interact. energy: -0.062
local terms energy: -47.325038
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -6.526
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -4.914
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: 7
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -218.065482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.065482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.065482 (E_RNA)
where:
Base-Base interactions energy: -136.543
where: short stacking energy: -65.246
Base-Backbone interact. energy: -1.813
local terms energy: -79.709272
where:
bonds (distance) C4'-P energy: -17.804
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -21.327
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: 2, replica: 3
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -220.311297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.311297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.311297 (E_RNA)
where:
Base-Base interactions energy: -142.207
where: short stacking energy: -64.084
Base-Backbone interact. energy: -0.104
local terms energy: -78.000165
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -18.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -205.370641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.370641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.370641 (E_RNA)
where:
Base-Base interactions energy: -132.508
where: short stacking energy: -55.034
Base-Backbone interact. energy: -0.178
local terms energy: -72.684471
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -12.548
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -17.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -212.256451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.256451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.256451 (E_RNA)
where:
Base-Base interactions energy: -141.333
where: short stacking energy: -60.625
Base-Backbone interact. energy: -0.403
local terms energy: -70.520648
where:
bonds (distance) C4'-P energy: -9.685
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -21.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -211.731972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.731972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.731972 (E_RNA)
where:
Base-Base interactions energy: -138.616
where: short stacking energy: -66.654
Base-Backbone interact. energy: 0.128
local terms energy: -73.244367
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -18.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -168.725639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.725639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.725639 (E_RNA)
where:
Base-Base interactions energy: -108.620
where: short stacking energy: -50.285
Base-Backbone interact. energy: -0.071
local terms energy: -60.034362
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -9.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -98.859370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.859370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.859370 (E_RNA)
where:
Base-Base interactions energy: -42.315
where: short stacking energy: -38.738
Base-Backbone interact. energy: -0.050
local terms energy: -56.494179
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -11.826
flat angles C4'-P-C4' energy: -11.295
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -10.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -83.642451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.642451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.642451 (E_RNA)
where:
Base-Base interactions energy: -31.233
where: short stacking energy: -31.233
Base-Backbone interact. energy: -0.648
local terms energy: -51.761313
where:
bonds (distance) C4'-P energy: -7.698
bonds (distance) P-C4' energy: -11.830
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -6.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -78.166014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.166014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.166014 (E_RNA)
where:
Base-Base interactions energy: -28.786
where: short stacking energy: -28.786
Base-Backbone interact. energy: -0.074
local terms energy: -49.306009
where:
bonds (distance) C4'-P energy: -10.411
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -8.535
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -8.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -68.846229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.846229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.846229 (E_RNA)
where:
Base-Base interactions energy: -21.243
where: short stacking energy: -21.243
Base-Backbone interact. energy: -0.053
local terms energy: -47.550094
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -10.721
flat angles P-C4'-P energy: -4.388
tors. eta vs tors. theta energy: -5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -225.382016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.382016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.382016 (E_RNA)
where:
Base-Base interactions energy: -145.545
where: short stacking energy: -74.765
Base-Backbone interact. energy: -0.709
local terms energy: -79.127463
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -22.168
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: 4
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -214.147273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.147273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.147273 (E_RNA)
where:
Base-Base interactions energy: -143.737
where: short stacking energy: -68.242
Base-Backbone interact. energy: -0.108
local terms energy: -70.301801
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: -19.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -220.946878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.946878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.946878 (E_RNA)
where:
Base-Base interactions energy: -138.953
where: short stacking energy: -66.549
Base-Backbone interact. energy: -0.123
local terms energy: -81.870798
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -18.802
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -17.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -211.450014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.450014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.450014 (E_RNA)
where:
Base-Base interactions energy: -139.170
where: short stacking energy: -68.285
Base-Backbone interact. energy: 0.737
local terms energy: -73.017806
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -21.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -207.095978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.095978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.095978 (E_RNA)
where:
Base-Base interactions energy: -129.882
where: short stacking energy: -57.400
Base-Backbone interact. energy: -0.222
local terms energy: -76.991931
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -18.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -159.647283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.647283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.647283 (E_RNA)
where:
Base-Base interactions energy: -99.168
where: short stacking energy: -48.922
Base-Backbone interact. energy: -0.100
local terms energy: -60.379448
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -10.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -90.670040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.670040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.670040 (E_RNA)
where:
Base-Base interactions energy: -47.736
where: short stacking energy: -22.314
Base-Backbone interact. energy: -0.182
local terms energy: -42.751894
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -12.611
flat angles C4'-P-C4' energy: -7.870
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -2.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -89.250383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.250383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.250383 (E_RNA)
where:
Base-Base interactions energy: -44.015
where: short stacking energy: -25.486
Base-Backbone interact. energy: 0.309
local terms energy: -45.544764
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -5.658
tors. eta vs tors. theta energy: -1.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -88.167749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.167749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.167749 (E_RNA)
where:
Base-Base interactions energy: -46.860
where: short stacking energy: -34.170
Base-Backbone interact. energy: -0.297
local terms energy: -41.010686
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -1.748
tors. eta vs tors. theta energy: -2.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -83.613414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.613414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.613414 (E_RNA)
where:
Base-Base interactions energy: -29.403
where: short stacking energy: -19.966
Base-Backbone interact. energy: 0.548
local terms energy: -54.758591
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -0.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -231.245655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.245655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.245655 (E_RNA)
where:
Base-Base interactions energy: -151.586
where: short stacking energy: -73.465
Base-Backbone interact. energy: -0.018
local terms energy: -79.641045
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -22.097
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: 4
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -219.383514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.383514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.383514 (E_RNA)
where:
Base-Base interactions energy: -141.022
where: short stacking energy: -56.323
Base-Backbone interact. energy: -0.522
local terms energy: -77.839290
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -21.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -216.753443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.753443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.753443 (E_RNA)
where:
Base-Base interactions energy: -142.915
where: short stacking energy: -66.977
Base-Backbone interact. energy: -0.007
local terms energy: -73.831850
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -20.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -211.571018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.571018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.571018 (E_RNA)
where:
Base-Base interactions energy: -137.512
where: short stacking energy: -69.136
Base-Backbone interact. energy: -0.000
local terms energy: -74.058275
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -11.278
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -20.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -166.271971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.271971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.271971 (E_RNA)
where:
Base-Base interactions energy: -103.502
where: short stacking energy: -51.055
Base-Backbone interact. energy: -0.000
local terms energy: -62.769723
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -14.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -206.801423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.801423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.801423 (E_RNA)
where:
Base-Base interactions energy: -126.668
where: short stacking energy: -63.570
Base-Backbone interact. energy: -0.006
local terms energy: -80.127266
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -21.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -91.056280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.056280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.056280 (E_RNA)
where:
Base-Base interactions energy: -38.554
where: short stacking energy: -36.899
Base-Backbone interact. energy: 1.089
local terms energy: -53.591061
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -9.867
flat angles P-C4'-P energy: -8.859
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: 8, replica: 9
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -99.453241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.453241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.453241 (E_RNA)
where:
Base-Base interactions energy: -43.434
where: short stacking energy: -19.408
Base-Backbone interact. energy: -0.101
local terms energy: -55.918028
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -5.613
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: 8
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -92.715758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.715758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.715758 (E_RNA)
where:
Base-Base interactions energy: -40.946
where: short stacking energy: -20.770
Base-Backbone interact. energy: -0.034
local terms energy: -51.734934
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -16.152
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -2.348
tors. eta vs tors. theta energy: -3.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -83.560666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.560666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.560666 (E_RNA)
where:
Base-Base interactions energy: -32.531
where: short stacking energy: -32.482
Base-Backbone interact. energy: -0.079
local terms energy: -50.951457
where:
bonds (distance) C4'-P energy: -9.201
bonds (distance) P-C4' energy: -10.574
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -5.066
tors. eta vs tors. theta energy: -10.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -226.502091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.502091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.502091 (E_RNA)
where:
Base-Base interactions energy: -143.848
where: short stacking energy: -67.226
Base-Backbone interact. energy: 2.075
local terms energy: -84.728912
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -15.999
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -13.990
tors. eta vs tors. theta energy: -23.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -215.205468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.205468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.205468 (E_RNA)
where:
Base-Base interactions energy: -142.666
where: short stacking energy: -66.258
Base-Backbone interact. energy: -0.086
local terms energy: -72.453510
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -17.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -213.436117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.436117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.436117 (E_RNA)
where:
Base-Base interactions energy: -140.070
where: short stacking energy: -60.000
Base-Backbone interact. energy: 0.214
local terms energy: -73.580114
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -19.210
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: 4, replica: 2
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -203.065433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.065433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.065433 (E_RNA)
where:
Base-Base interactions energy: -138.419
where: short stacking energy: -66.944
Base-Backbone interact. energy: -0.401
local terms energy: -64.245006
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -9.005
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -19.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -166.936677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.936677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.936677 (E_RNA)
where:
Base-Base interactions energy: -99.379
where: short stacking energy: -54.830
Base-Backbone interact. energy: -0.013
local terms energy: -67.544406
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -15.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -187.184199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.184199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.184199 (E_RNA)
where:
Base-Base interactions energy: -123.874
where: short stacking energy: -54.279
Base-Backbone interact. energy: -0.028
local terms energy: -63.282854
where:
bonds (distance) C4'-P energy: -9.586
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -14.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -100.487518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.487518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.487518 (E_RNA)
where:
Base-Base interactions energy: -47.107
where: short stacking energy: -37.752
Base-Backbone interact. energy: -0.091
local terms energy: -53.289042
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -5.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -78.010751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.010751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.010751 (E_RNA)
where:
Base-Base interactions energy: -32.583
where: short stacking energy: -23.340
Base-Backbone interact. energy: 1.102
local terms energy: -46.529465
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -9.825
flat angles P-C4'-P energy: -4.872
tors. eta vs tors. theta energy: -3.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -85.268641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.268641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.268641 (E_RNA)
where:
Base-Base interactions energy: -32.908
where: short stacking energy: -33.157
Base-Backbone interact. energy: -0.151
local terms energy: -52.209297
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -7.501
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -6.541
tors. eta vs tors. theta energy: -7.573
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: 10, replica: 1
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -84.122542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.122542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.122542 (E_RNA)
where:
Base-Base interactions energy: -30.056
where: short stacking energy: -21.524
Base-Backbone interact. energy: -0.037
local terms energy: -54.029749
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -5.966
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: 1, replica: 4
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -223.412005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.412005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.412005 (E_RNA)
where:
Base-Base interactions energy: -153.971
where: short stacking energy: -64.440
Base-Backbone interact. energy: -0.101
local terms energy: -69.339743
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -15.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -219.223721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.223721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.223721 (E_RNA)
where:
Base-Base interactions energy: -137.572
where: short stacking energy: -67.913
Base-Backbone interact. energy: -0.012
local terms energy: -81.640083
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -21.656
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: 3, replica: 2
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -186.563518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.563518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.563518 (E_RNA)
where:
Base-Base interactions energy: -119.335
where: short stacking energy: -59.998
Base-Backbone interact. energy: -0.002
local terms energy: -67.226801
where:
bonds (distance) C4'-P energy: -6.572
bonds (distance) P-C4' energy: -13.242
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -19.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -207.860700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.860700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.860700 (E_RNA)
where:
Base-Base interactions energy: -141.997
where: short stacking energy: -63.853
Base-Backbone interact. energy: 0.343
local terms energy: -66.206143
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -9.931
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -21.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -203.995686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.995686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.995686 (E_RNA)
where:
Base-Base interactions energy: -130.523
where: short stacking energy: -62.045
Base-Backbone interact. energy: -0.039
local terms energy: -73.433529
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -16.513
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: 5
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -156.203642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.203642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.203642 (E_RNA)
where:
Base-Base interactions energy: -93.293
where: short stacking energy: -46.123
Base-Backbone interact. energy: -0.189
local terms energy: -62.721923
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -10.219
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: 8
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -151.361062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.361062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.361062 (E_RNA)
where:
Base-Base interactions energy: -93.045
where: short stacking energy: -42.928
Base-Backbone interact. energy: 0.458
local terms energy: -58.774326
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -7.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -84.875389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.875389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.875389 (E_RNA)
where:
Base-Base interactions energy: -28.926
where: short stacking energy: -22.779
Base-Backbone interact. energy: -0.067
local terms energy: -55.882951
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -4.822
tors. eta vs tors. theta energy: -7.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -93.893275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.893275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.893275 (E_RNA)
where:
Base-Base interactions energy: -37.148
where: short stacking energy: -22.890
Base-Backbone interact. energy: -0.943
local terms energy: -55.801599
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -4.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -78.898197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.898197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.898197 (E_RNA)
where:
Base-Base interactions energy: -34.621
where: short stacking energy: -33.251
Base-Backbone interact. energy: 0.315
local terms energy: -44.591816
where:
bonds (distance) C4'-P energy: -6.410
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -10.559
flat angles P-C4'-P energy: -0.935
tors. eta vs tors. theta energy: -8.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -222.962735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.962735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.962735 (E_RNA)
where:
Base-Base interactions energy: -144.130
where: short stacking energy: -60.227
Base-Backbone interact. energy: -1.150
local terms energy: -77.682852
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -17.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -222.874729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.874729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.874729 (E_RNA)
where:
Base-Base interactions energy: -145.292
where: short stacking energy: -62.910
Base-Backbone interact. energy: -0.101
local terms energy: -77.481873
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -22.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -220.924045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.924045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.924045 (E_RNA)
where:
Base-Base interactions energy: -145.946
where: short stacking energy: -72.139
Base-Backbone interact. energy: -0.042
local terms energy: -74.936101
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -21.526
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: 3
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -202.027072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.027072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.027072 (E_RNA)
where:
Base-Base interactions energy: -130.668
where: short stacking energy: -63.919
Base-Backbone interact. energy: 0.794
local terms energy: -72.152592
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -19.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -204.215972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.215972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.215972 (E_RNA)
where:
Base-Base interactions energy: -131.961
where: short stacking energy: -63.986
Base-Backbone interact. energy: 0.013
local terms energy: -72.267883
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -18.289
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: 5
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -142.703137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.703137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.703137 (E_RNA)
where:
Base-Base interactions energy: -94.234
where: short stacking energy: -37.176
Base-Backbone interact. energy: 0.809
local terms energy: -49.278429
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -10.147
flat angles P-C4'-P energy: -2.733
tors. eta vs tors. theta energy: -6.190
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: 7, replica: 8
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -121.490379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.490379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.490379 (E_RNA)
where:
Base-Base interactions energy: -65.554
where: short stacking energy: -33.055
Base-Backbone interact. energy: 0.940
local terms energy: -56.876554
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -6.658
tors. eta vs tors. theta energy: -6.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -82.432226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.432226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.432226 (E_RNA)
where:
Base-Base interactions energy: -33.813
where: short stacking energy: -26.543
Base-Backbone interact. energy: -0.212
local terms energy: -48.406769
where:
bonds (distance) C4'-P energy: -7.908
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -6.507
tors. eta vs tors. theta energy: -5.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -83.004424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.004424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.004424 (E_RNA)
where:
Base-Base interactions energy: -34.224
where: short stacking energy: -34.068
Base-Backbone interact. energy: -0.066
local terms energy: -48.714306
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -10.070
flat angles C4'-P-C4' energy: -9.829
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -3.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -83.270238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.270238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.270238 (E_RNA)
where:
Base-Base interactions energy: -40.141
where: short stacking energy: -30.940
Base-Backbone interact. energy: -0.423
local terms energy: -42.706663
where:
bonds (distance) C4'-P energy: -8.550
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -8.425
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -4.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -229.455178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.455178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.455178 (E_RNA)
where:
Base-Base interactions energy: -157.035
where: short stacking energy: -65.834
Base-Backbone interact. energy: -0.001
local terms energy: -72.419583
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -19.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -212.824784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.824784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.824784 (E_RNA)
where:
Base-Base interactions energy: -140.768
where: short stacking energy: -58.002
Base-Backbone interact. energy: -0.100
local terms energy: -71.956354
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -17.025
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: 3, replica: 7
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -219.087782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.087782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.087782 (E_RNA)
where:
Base-Base interactions energy: -143.408
where: short stacking energy: -72.736
Base-Backbone interact. energy: -0.010
local terms energy: -75.670386
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -20.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -201.587186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.587186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.587186 (E_RNA)
where:
Base-Base interactions energy: -132.383
where: short stacking energy: -53.490
Base-Backbone interact. energy: -0.033
local terms energy: -69.171281
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -18.597
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: 10
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -200.244429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.244429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.244429 (E_RNA)
where:
Base-Base interactions energy: -137.870
where: short stacking energy: -65.337
Base-Backbone interact. energy: -0.717
local terms energy: -61.656826
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -10.591
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -3.623
tors. eta vs tors. theta energy: -18.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -144.045602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.045602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.045602 (E_RNA)
where:
Base-Base interactions energy: -86.189
where: short stacking energy: -44.749
Base-Backbone interact. energy: -0.097
local terms energy: -57.759306
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -8.307
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: 456
Temperature: 1.200000
Total energy: -97.215284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.215284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.215284 (E_RNA)
where:
Base-Base interactions energy: -54.676
where: short stacking energy: -27.456
Base-Backbone interact. energy: 0.051
local terms energy: -42.589997
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -8.218
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -0.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -85.703836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.703836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.703836 (E_RNA)
where:
Base-Base interactions energy: -37.072
where: short stacking energy: -22.088
Base-Backbone interact. energy: 1.148
local terms energy: -49.779323
where:
bonds (distance) C4'-P energy: -7.075
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -2.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -85.566099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.566099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.566099 (E_RNA)
where:
Base-Base interactions energy: -41.430
where: short stacking energy: -26.018
Base-Backbone interact. energy: -0.287
local terms energy: -43.848942
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -5.547
flat angles P-C4'-P energy: -5.091
tors. eta vs tors. theta energy: -2.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -77.895738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.895738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.895738 (E_RNA)
where:
Base-Base interactions energy: -27.544
where: short stacking energy: -25.386
Base-Backbone interact. energy: -0.209
local terms energy: -50.141996
where:
bonds (distance) C4'-P energy: -10.034
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: -4.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -218.541084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.541084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.541084 (E_RNA)
where:
Base-Base interactions energy: -144.692
where: short stacking energy: -68.309
Base-Backbone interact. energy: -0.002
local terms energy: -73.847638
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -18.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -215.994864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.994864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.994864 (E_RNA)
where:
Base-Base interactions energy: -142.070
where: short stacking energy: -63.493
Base-Backbone interact. energy: -0.025
local terms energy: -73.900000
where:
bonds (distance) C4'-P energy: -10.327
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -16.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -211.730633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.730633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.730633 (E_RNA)
where:
Base-Base interactions energy: -132.357
where: short stacking energy: -57.547
Base-Backbone interact. energy: -0.028
local terms energy: -79.345216
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -18.458
flat angles P-C4'-P energy: -12.428
tors. eta vs tors. theta energy: -18.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -202.079335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.079335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.079335 (E_RNA)
where:
Base-Base interactions energy: -128.270
where: short stacking energy: -58.503
Base-Backbone interact. energy: 0.059
local terms energy: -73.868062
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -18.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -201.230300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.230300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.230300 (E_RNA)
where:
Base-Base interactions energy: -127.765
where: short stacking energy: -54.647
Base-Backbone interact. energy: -0.002
local terms energy: -73.463630
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -19.389
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: -19.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -141.901224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.901224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.901224 (E_RNA)
where:
Base-Base interactions energy: -77.342
where: short stacking energy: -37.899
Base-Backbone interact. energy: -1.017
local terms energy: -63.541421
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -8.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -87.967005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.967005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.967005 (E_RNA)
where:
Base-Base interactions energy: -34.410
where: short stacking energy: -32.590
Base-Backbone interact. energy: -0.800
local terms energy: -52.756987
where:
bonds (distance) C4'-P energy: -9.264
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -5.555
tors. eta vs tors. theta energy: -4.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -87.675465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.675465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.675465 (E_RNA)
where:
Base-Base interactions energy: -44.143
where: short stacking energy: -21.451
Base-Backbone interact. energy: -0.274
local terms energy: -43.259212
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -5.527
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: 2.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -89.166283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.166283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.166283 (E_RNA)
where:
Base-Base interactions energy: -46.020
where: short stacking energy: -24.336
Base-Backbone interact. energy: -0.211
local terms energy: -42.935563
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -7.323
flat angles C4'-P-C4' energy: -9.830
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -1.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -67.699678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.699678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.699678 (E_RNA)
where:
Base-Base interactions energy: -16.456
where: short stacking energy: -15.436
Base-Backbone interact. energy: -0.097
local terms energy: -51.147562
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -0.131
tors. eta vs tors. theta energy: -4.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -214.788862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.788862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.788862 (E_RNA)
where:
Base-Base interactions energy: -141.390
where: short stacking energy: -64.358
Base-Backbone interact. energy: -0.144
local terms energy: -73.254700
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -13.882
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -16.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -220.996080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.996080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.996080 (E_RNA)
where:
Base-Base interactions energy: -149.587
where: short stacking energy: -77.621
Base-Backbone interact. energy: -0.001
local terms energy: -71.408508
where:
bonds (distance) C4'-P energy: -10.892
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -20.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -197.626653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.626653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.626653 (E_RNA)
where:
Base-Base interactions energy: -126.394
where: short stacking energy: -49.198
Base-Backbone interact. energy: -0.189
local terms energy: -71.043686
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -14.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -203.796752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.796752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.796752 (E_RNA)
where:
Base-Base interactions energy: -135.703
where: short stacking energy: -54.651
Base-Backbone interact. energy: -0.025
local terms energy: -68.068823
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -11.815
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -15.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -196.821485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.821485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.821485 (E_RNA)
where:
Base-Base interactions energy: -127.228
where: short stacking energy: -62.053
Base-Backbone interact. energy: -0.007
local terms energy: -69.586296
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -9.848
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -20.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -181.298878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.298878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.298878 (E_RNA)
where:
Base-Base interactions energy: -118.375
where: short stacking energy: -54.060
Base-Backbone interact. energy: -0.123
local terms energy: -62.800510
where:
bonds (distance) C4'-P energy: -9.767
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -16.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -87.071954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.071954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.071954 (E_RNA)
where:
Base-Base interactions energy: -38.126
where: short stacking energy: -27.007
Base-Backbone interact. energy: -0.146
local terms energy: -48.799169
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -9.703
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: 0.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -107.432848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.432848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.432848 (E_RNA)
where:
Base-Base interactions energy: -56.003
where: short stacking energy: -32.879
Base-Backbone interact. energy: -0.386
local terms energy: -51.043482
where:
bonds (distance) C4'-P energy: -10.535
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -11.462
flat angles P-C4'-P energy: -6.552
tors. eta vs tors. theta energy: -6.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -84.248972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.248972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.248972 (E_RNA)
where:
Base-Base interactions energy: -30.564
where: short stacking energy: -30.564
Base-Backbone interact. energy: -0.031
local terms energy: -53.653991
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -3.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -78.776176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.776176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.776176 (E_RNA)
where:
Base-Base interactions energy: -24.873
where: short stacking energy: -23.182
Base-Backbone interact. energy: -0.113
local terms energy: -53.790944
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -2.136
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: 7
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -216.903100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.903100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.903100 (E_RNA)
where:
Base-Base interactions energy: -146.517
where: short stacking energy: -64.741
Base-Backbone interact. energy: -0.289
local terms energy: -70.097796
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -15.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -223.592802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.592802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.592802 (E_RNA)
where:
Base-Base interactions energy: -148.017
where: short stacking energy: -72.158
Base-Backbone interact. energy: -0.019
local terms energy: -75.557170
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -19.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -195.575458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.575458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.575458 (E_RNA)
where:
Base-Base interactions energy: -124.862
where: short stacking energy: -51.137
Base-Backbone interact. energy: -0.043
local terms energy: -70.670580
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -11.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -211.890121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.890121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.890121 (E_RNA)
where:
Base-Base interactions energy: -142.485
where: short stacking energy: -62.721
Base-Backbone interact. energy: -1.042
local terms energy: -68.363119
where:
bonds (distance) C4'-P energy: -8.476
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -18.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -214.918777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.918777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.918777 (E_RNA)
where:
Base-Base interactions energy: -145.420
where: short stacking energy: -65.763
Base-Backbone interact. energy: -0.015
local terms energy: -69.483265
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -10.562
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -16.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -176.193512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.193512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.193512 (E_RNA)
where:
Base-Base interactions energy: -108.171
where: short stacking energy: -49.855
Base-Backbone interact. energy: -0.139
local terms energy: -67.883861
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -12.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -87.756783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.756783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.756783 (E_RNA)
where:
Base-Base interactions energy: -36.601
where: short stacking energy: -28.009
Base-Backbone interact. energy: -0.471
local terms energy: -50.685449
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -9.229
flat angles P-C4'-P energy: -5.516
tors. eta vs tors. theta energy: -5.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -89.648075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.648075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.648075 (E_RNA)
where:
Base-Base interactions energy: -35.719
where: short stacking energy: -26.344
Base-Backbone interact. energy: -0.169
local terms energy: -53.759910
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -3.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -132.405066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.405066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.405066 (E_RNA)
where:
Base-Base interactions energy: -79.855
where: short stacking energy: -34.015
Base-Backbone interact. energy: -0.057
local terms energy: -52.493406
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -8.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -74.472364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.472364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.472364 (E_RNA)
where:
Base-Base interactions energy: -23.377
where: short stacking energy: -22.239
Base-Backbone interact. energy: -0.295
local terms energy: -50.800591
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -1.235
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: 1, replica: 2
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -229.891180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.891180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.891180 (E_RNA)
where:
Base-Base interactions energy: -154.087
where: short stacking energy: -71.812
Base-Backbone interact. energy: -0.065
local terms energy: -75.739414
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -17.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -218.567637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.567637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.567637 (E_RNA)
where:
Base-Base interactions energy: -147.974
where: short stacking energy: -56.031
Base-Backbone interact. energy: -0.327
local terms energy: -70.266010
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -12.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -207.582017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.582017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.582017 (E_RNA)
where:
Base-Base interactions energy: -142.260
where: short stacking energy: -57.955
Base-Backbone interact. energy: -0.048
local terms energy: -65.274229
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -10.666
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -17.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -203.043284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.043284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.043284 (E_RNA)
where:
Base-Base interactions energy: -131.648
where: short stacking energy: -63.639
Base-Backbone interact. energy: -0.002
local terms energy: -71.393082
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -18.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -208.268719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.268719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.268719 (E_RNA)
where:
Base-Base interactions energy: -136.132
where: short stacking energy: -66.131
Base-Backbone interact. energy: -0.001
local terms energy: -72.136224
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -19.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -178.545717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.545717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.545717 (E_RNA)
where:
Base-Base interactions energy: -117.471
where: short stacking energy: -54.267
Base-Backbone interact. energy: -0.014
local terms energy: -61.061489
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -12.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -96.344538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.344538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.344538 (E_RNA)
where:
Base-Base interactions energy: -41.129
where: short stacking energy: -40.291
Base-Backbone interact. energy: -0.130
local terms energy: -55.085523
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -9.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -85.763791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.763791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.763791 (E_RNA)
where:
Base-Base interactions energy: -36.830
where: short stacking energy: -32.985
Base-Backbone interact. energy: -0.616
local terms energy: -48.317698
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: -2.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -78.605855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.605855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.605855 (E_RNA)
where:
Base-Base interactions energy: -38.510
where: short stacking energy: -31.545
Base-Backbone interact. energy: 1.359
local terms energy: -41.455737
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -8.148
flat angles P-C4'-P energy: -3.593
tors. eta vs tors. theta energy: -1.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -114.108763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.108763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.108763 (E_RNA)
where:
Base-Base interactions energy: -62.902
where: short stacking energy: -32.650
Base-Backbone interact. energy: -0.540
local terms energy: -50.667112
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -6.291
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -5.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -221.771840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.771840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.771840 (E_RNA)
where:
Base-Base interactions energy: -145.318
where: short stacking energy: -68.969
Base-Backbone interact. energy: -0.115
local terms energy: -76.339035
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -21.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -218.765335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.765335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.765335 (E_RNA)
where:
Base-Base interactions energy: -148.867
where: short stacking energy: -60.247
Base-Backbone interact. energy: -0.470
local terms energy: -69.428836
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -16.756
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: 3
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -211.778168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.778168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.778168 (E_RNA)
where:
Base-Base interactions energy: -142.568
where: short stacking energy: -64.231
Base-Backbone interact. energy: -0.007
local terms energy: -69.203624
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -8.118
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -13.078
tors. eta vs tors. theta energy: -19.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -214.185186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.185186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.185186 (E_RNA)
where:
Base-Base interactions energy: -147.497
where: short stacking energy: -64.056
Base-Backbone interact. energy: -0.097
local terms energy: -66.590419
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -5.613
tors. eta vs tors. theta energy: -13.549
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: 10
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -206.922421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.922421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.922421 (E_RNA)
where:
Base-Base interactions energy: -135.585
where: short stacking energy: -75.687
Base-Backbone interact. energy: -0.007
local terms energy: -71.330574
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -13.227
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -21.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -174.224597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.224597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.224597 (E_RNA)
where:
Base-Base interactions energy: -108.762
where: short stacking energy: -56.447
Base-Backbone interact. energy: -0.077
local terms energy: -65.386109
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -14.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -106.178723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.178723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.178723 (E_RNA)
where:
Base-Base interactions energy: -50.064
where: short stacking energy: -35.045
Base-Backbone interact. energy: -0.066
local terms energy: -56.048884
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -7.962
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: 8, replica: 1
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -82.740059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.740059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.740059 (E_RNA)
where:
Base-Base interactions energy: -32.510
where: short stacking energy: -29.272
Base-Backbone interact. energy: -0.015
local terms energy: -50.215858
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -10.112
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -3.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -86.352704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.352704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.352704 (E_RNA)
where:
Base-Base interactions energy: -41.024
where: short stacking energy: -35.335
Base-Backbone interact. energy: -0.154
local terms energy: -45.174346
where:
bonds (distance) C4'-P energy: -7.138
bonds (distance) P-C4' energy: -9.373
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -5.742
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: 461
Temperature: 1.350000
Total energy: -86.588816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.588816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.588816 (E_RNA)
where:
Base-Base interactions energy: -33.383
where: short stacking energy: -32.523
Base-Backbone interact. energy: 0.262
local terms energy: -53.467760
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -10.560
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -4.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -215.923817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.923817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.923817 (E_RNA)
where:
Base-Base interactions energy: -147.821
where: short stacking energy: -54.377
Base-Backbone interact. energy: -0.121
local terms energy: -67.981098
where:
bonds (distance) C4'-P energy: -9.037
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -16.632
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: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -223.829312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.829312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.829312 (E_RNA)
where:
Base-Base interactions energy: -146.354
where: short stacking energy: -64.112
Base-Backbone interact. energy: -0.321
local terms energy: -77.153426
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -20.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -215.009560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.009560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.009560 (E_RNA)
where:
Base-Base interactions energy: -137.972
where: short stacking energy: -62.693
Base-Backbone interact. energy: -0.039
local terms energy: -76.998504
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -16.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -216.303725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.303725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.303725 (E_RNA)
where:
Base-Base interactions energy: -141.052
where: short stacking energy: -68.641
Base-Backbone interact. energy: -0.006
local terms energy: -75.246592
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -19.123
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: 5
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -196.514904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.514904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.514904 (E_RNA)
where:
Base-Base interactions energy: -122.261
where: short stacking energy: -53.630
Base-Backbone interact. energy: -2.098
local terms energy: -72.155440
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -17.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -204.351754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.351754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.351754 (E_RNA)
where:
Base-Base interactions energy: -131.251
where: short stacking energy: -57.374
Base-Backbone interact. energy: -0.071
local terms energy: -73.029918
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -20.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -85.105955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.105955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.105955 (E_RNA)
where:
Base-Base interactions energy: -36.530
where: short stacking energy: -36.394
Base-Backbone interact. energy: -0.073
local terms energy: -48.502469
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -8.382
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -5.920
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: 8, replica: 6
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -85.107917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.107917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.107917 (E_RNA)
where:
Base-Base interactions energy: -37.693
where: short stacking energy: -19.905
Base-Backbone interact. energy: -0.105
local terms energy: -47.310274
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -3.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -82.294294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.294294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.294294 (E_RNA)
where:
Base-Base interactions energy: -36.489
where: short stacking energy: -29.497
Base-Backbone interact. energy: -0.045
local terms energy: -45.760667
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -7.303
flat angles P-C4'-P energy: -14.875
tors. eta vs tors. theta energy: 0.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -72.747628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.747628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.747628 (E_RNA)
where:
Base-Base interactions energy: -25.979
where: short stacking energy: -21.643
Base-Backbone interact. energy: -0.034
local terms energy: -46.734911
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: 2.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -214.438671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.438671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.438671 (E_RNA)
where:
Base-Base interactions energy: -149.505
where: short stacking energy: -55.047
Base-Backbone interact. energy: -0.002
local terms energy: -64.932124
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -12.069
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -12.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -224.283761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.283761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.283761 (E_RNA)
where:
Base-Base interactions energy: -149.761
where: short stacking energy: -69.469
Base-Backbone interact. energy: -0.012
local terms energy: -74.510183
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -16.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -203.969309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.969309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.969309 (E_RNA)
where:
Base-Base interactions energy: -125.934
where: short stacking energy: -62.782
Base-Backbone interact. energy: -0.073
local terms energy: -77.962200
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -20.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -212.379560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.379560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.379560 (E_RNA)
where:
Base-Base interactions energy: -138.401
where: short stacking energy: -62.547
Base-Backbone interact. energy: 1.486
local terms energy: -75.465045
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -20.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -196.914079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.914079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.914079 (E_RNA)
where:
Base-Base interactions energy: -128.814
where: short stacking energy: -65.000
Base-Backbone interact. energy: -0.031
local terms energy: -68.068999
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -16.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -193.561484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.561484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.561484 (E_RNA)
where:
Base-Base interactions energy: -133.637
where: short stacking energy: -56.541
Base-Backbone interact. energy: -0.180
local terms energy: -59.744038
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -10.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -99.508248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.508248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.508248 (E_RNA)
where:
Base-Base interactions energy: -38.666
where: short stacking energy: -38.666
Base-Backbone interact. energy: -0.038
local terms energy: -60.804047
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -13.301
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: 463
Temperature: 1.250000
Total energy: -84.677973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.677973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.677973 (E_RNA)
where:
Base-Base interactions energy: -35.464
where: short stacking energy: -34.273
Base-Backbone interact. energy: -0.013
local terms energy: -49.201011
where:
bonds (distance) C4'-P energy: -4.423
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -8.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -79.843778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.843778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.843778 (E_RNA)
where:
Base-Base interactions energy: -34.613
where: short stacking energy: -30.988
Base-Backbone interact. energy: -0.159
local terms energy: -45.072626
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -10.808
flat angles C4'-P-C4' energy: -10.294
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -6.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -72.118949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.118949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.118949 (E_RNA)
where:
Base-Base interactions energy: -19.535
where: short stacking energy: -19.535
Base-Backbone interact. energy: -0.101
local terms energy: -52.483587
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -5.355
tors. eta vs tors. theta energy: -5.787
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: 2
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -222.739942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.739942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.739942 (E_RNA)
where:
Base-Base interactions energy: -145.239
where: short stacking energy: -66.657
Base-Backbone interact. energy: -0.017
local terms energy: -77.483832
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -17.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -212.841462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.841462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.841462 (E_RNA)
where:
Base-Base interactions energy: -140.472
where: short stacking energy: -51.547
Base-Backbone interact. energy: -0.067
local terms energy: -72.302315
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -13.432
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: 3
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -214.492526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.492526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.492526 (E_RNA)
where:
Base-Base interactions energy: -134.579
where: short stacking energy: -65.379
Base-Backbone interact. energy: -0.115
local terms energy: -79.797962
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -18.936
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: 4
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -208.379132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.379132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.379132 (E_RNA)
where:
Base-Base interactions energy: -129.851
where: short stacking energy: -59.647
Base-Backbone interact. energy: -0.062
local terms energy: -78.465904
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -18.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -199.024874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.024874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.024874 (E_RNA)
where:
Base-Base interactions energy: -133.716
where: short stacking energy: -55.464
Base-Backbone interact. energy: 1.767
local terms energy: -67.076066
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -4.380
tors. eta vs tors. theta energy: -17.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -204.078956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.078956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.078956 (E_RNA)
where:
Base-Base interactions energy: -130.265
where: short stacking energy: -68.632
Base-Backbone interact. energy: -0.112
local terms energy: -73.701606
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -10.109
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -20.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -93.648425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.648425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.648425 (E_RNA)
where:
Base-Base interactions energy: -42.948
where: short stacking energy: -38.074
Base-Backbone interact. energy: -0.377
local terms energy: -50.323248
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -9.867
flat angles P-C4'-P energy: -8.670
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: 8, replica: 1
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -80.941164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.941164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.941164 (E_RNA)
where:
Base-Base interactions energy: -23.708
where: short stacking energy: -23.708
Base-Backbone interact. energy: -0.298
local terms energy: -56.934599
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -1.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -90.091450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.091450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.091450 (E_RNA)
where:
Base-Base interactions energy: -40.152
where: short stacking energy: -33.463
Base-Backbone interact. energy: 0.839
local terms energy: -50.778944
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -7.202
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -7.937
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: 464
Temperature: 1.350000
Total energy: -75.799513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.799513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.799513 (E_RNA)
where:
Base-Base interactions energy: -27.127
where: short stacking energy: -22.733
Base-Backbone interact. energy: -0.134
local terms energy: -48.538856
where:
bonds (distance) C4'-P energy: -10.759
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -2.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -224.456327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.456327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.456327 (E_RNA)
where:
Base-Base interactions energy: -147.905
where: short stacking energy: -68.843
Base-Backbone interact. energy: -0.002
local terms energy: -76.548838
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -17.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -219.406874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.406874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.406874 (E_RNA)
where:
Base-Base interactions energy: -143.051
where: short stacking energy: -70.968
Base-Backbone interact. energy: -0.040
local terms energy: -76.316359
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -22.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -207.887720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.887720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.887720 (E_RNA)
where:
Base-Base interactions energy: -142.206
where: short stacking energy: -59.391
Base-Backbone interact. energy: -0.112
local terms energy: -65.570566
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -15.417
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: 10
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -212.601950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.601950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.601950 (E_RNA)
where:
Base-Base interactions energy: -127.866
where: short stacking energy: -61.558
Base-Backbone interact. energy: -0.003
local terms energy: -84.732693
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -21.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -184.819225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.819225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.819225 (E_RNA)
where:
Base-Base interactions energy: -116.347
where: short stacking energy: -50.982
Base-Backbone interact. energy: -0.006
local terms energy: -68.466290
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -14.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -167.804250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.804250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.804250 (E_RNA)
where:
Base-Base interactions energy: -105.009
where: short stacking energy: -55.444
Base-Backbone interact. energy: -0.173
local terms energy: -62.622887
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -12.733
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -15.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -92.472100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.472100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.472100 (E_RNA)
where:
Base-Base interactions energy: -39.454
where: short stacking energy: -27.779
Base-Backbone interact. energy: 0.733
local terms energy: -53.750871
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -9.299
flat angles P-C4'-P energy: -5.966
tors. eta vs tors. theta energy: -9.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -79.871193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.871193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.871193 (E_RNA)
where:
Base-Base interactions energy: -32.913
where: short stacking energy: -16.918
Base-Backbone interact. energy: 0.485
local terms energy: -47.443970
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -5.426
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: 1.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -81.127635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.127635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.127635 (E_RNA)
where:
Base-Base interactions energy: -29.019
where: short stacking energy: -29.233
Base-Backbone interact. energy: -0.163
local terms energy: -51.945765
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -3.751
tors. eta vs tors. theta energy: -5.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -71.667273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.667273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.667273 (E_RNA)
where:
Base-Base interactions energy: -24.637
where: short stacking energy: -20.264
Base-Backbone interact. energy: -0.115
local terms energy: -46.914704
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -9.957
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -6.319
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: 3
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -220.791476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.791476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.791476 (E_RNA)
where:
Base-Base interactions energy: -147.650
where: short stacking energy: -73.930
Base-Backbone interact. energy: 0.243
local terms energy: -73.383845
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -18.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -219.863584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.863584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.863584 (E_RNA)
where:
Base-Base interactions energy: -151.061
where: short stacking energy: -64.112
Base-Backbone interact. energy: -0.099
local terms energy: -68.703765
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -16.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -211.925998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.925998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.925998 (E_RNA)
where:
Base-Base interactions energy: -136.678
where: short stacking energy: -59.971
Base-Backbone interact. energy: -0.009
local terms energy: -75.239407
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -19.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -206.048505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.048505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.048505 (E_RNA)
where:
Base-Base interactions energy: -135.444
where: short stacking energy: -59.934
Base-Backbone interact. energy: -0.004
local terms energy: -70.599561
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -9.802
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -20.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -189.353361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.353361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.353361 (E_RNA)
where:
Base-Base interactions energy: -121.068
where: short stacking energy: -61.888
Base-Backbone interact. energy: -1.093
local terms energy: -67.192539
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -15.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -167.582470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.582470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.582470 (E_RNA)
where:
Base-Base interactions energy: -104.429
where: short stacking energy: -52.554
Base-Backbone interact. energy: -0.049
local terms energy: -63.104770
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -9.764
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -16.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -85.879519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.879519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.879519 (E_RNA)
where:
Base-Base interactions energy: -31.675
where: short stacking energy: -26.615
Base-Backbone interact. energy: -0.791
local terms energy: -53.413651
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -12.192
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -3.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -98.563266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.563266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.563266 (E_RNA)
where:
Base-Base interactions energy: -53.970
where: short stacking energy: -35.749
Base-Backbone interact. energy: -0.057
local terms energy: -44.535589
where:
bonds (distance) C4'-P energy: -10.479
bonds (distance) P-C4' energy: -10.574
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -2.924
tors. eta vs tors. theta energy: -9.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -89.929589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.929589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.929589 (E_RNA)
where:
Base-Base interactions energy: -39.026
where: short stacking energy: -30.598
Base-Backbone interact. energy: -0.727
local terms energy: -50.177321
where:
bonds (distance) C4'-P energy: -10.404
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -9.623
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: 10, replica: 1
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -71.846340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.846340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.846340 (E_RNA)
where:
Base-Base interactions energy: -24.846
where: short stacking energy: -23.091
Base-Backbone interact. energy: 1.154
local terms energy: -48.154995
where:
bonds (distance) C4'-P energy: -5.910
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -8.667
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: 467
Temperature: 0.900000
Total energy: -226.347411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.347411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.347411 (E_RNA)
where:
Base-Base interactions energy: -147.925
where: short stacking energy: -73.528
Base-Backbone interact. energy: -0.380
local terms energy: -78.042788
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -20.780
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: 2, replica: 7
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -208.020669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.020669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.020669 (E_RNA)
where:
Base-Base interactions energy: -130.095
where: short stacking energy: -53.910
Base-Backbone interact. energy: -0.461
local terms energy: -77.464546
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -16.665
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: 2
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -215.921580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.921580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.921580 (E_RNA)
where:
Base-Base interactions energy: -143.952
where: short stacking energy: -57.307
Base-Backbone interact. energy: -0.056
local terms energy: -71.913214
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -14.881
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: 467
Temperature: 1.050000
Total energy: -211.115553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.115553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.115553 (E_RNA)
where:
Base-Base interactions energy: -138.615
where: short stacking energy: -66.048
Base-Backbone interact. energy: -0.041
local terms energy: -72.459327
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -19.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -181.074565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.074565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.074565 (E_RNA)
where:
Base-Base interactions energy: -109.427
where: short stacking energy: -59.984
Base-Backbone interact. energy: -0.089
local terms energy: -71.558836
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -16.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -159.051477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.051477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.051477 (E_RNA)
where:
Base-Base interactions energy: -101.409
where: short stacking energy: -55.440
Base-Backbone interact. energy: -0.038
local terms energy: -57.605271
where:
bonds (distance) C4'-P energy: -8.894
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -11.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -90.023371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.023371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.023371 (E_RNA)
where:
Base-Base interactions energy: -42.712
where: short stacking energy: -37.171
Base-Backbone interact. energy: 0.247
local terms energy: -47.558219
where:
bonds (distance) C4'-P energy: -10.606
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -5.696
tors. eta vs tors. theta energy: -5.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -84.699736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.699736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.699736 (E_RNA)
where:
Base-Base interactions energy: -32.457
where: short stacking energy: -22.466
Base-Backbone interact. energy: -0.695
local terms energy: -51.547895
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -8.399
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: 9, replica: 9
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -79.081241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.081241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.081241 (E_RNA)
where:
Base-Base interactions energy: -35.064
where: short stacking energy: -29.088
Base-Backbone interact. energy: -0.200
local terms energy: -43.817549
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -7.040
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: 0.033
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: 1
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -78.873829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.873829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.873829 (E_RNA)
where:
Base-Base interactions energy: -24.161
where: short stacking energy: -22.726
Base-Backbone interact. energy: -0.560
local terms energy: -54.153399
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -5.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -219.654531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.654531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.654531 (E_RNA)
where:
Base-Base interactions energy: -148.639
where: short stacking energy: -67.432
Base-Backbone interact. energy: -0.006
local terms energy: -71.009884
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -18.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -208.857820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.857820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.857820 (E_RNA)
where:
Base-Base interactions energy: -133.952
where: short stacking energy: -71.100
Base-Backbone interact. energy: 0.286
local terms energy: -75.191725
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -17.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -210.286495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.286495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.286495 (E_RNA)
where:
Base-Base interactions energy: -141.997
where: short stacking energy: -67.653
Base-Backbone interact. energy: 1.196
local terms energy: -69.485688
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -13.767
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -19.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -198.208962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.208962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.208962 (E_RNA)
where:
Base-Base interactions energy: -129.228
where: short stacking energy: -60.884
Base-Backbone interact. energy: -0.164
local terms energy: -68.817506
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -12.037
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -19.073
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: 5, replica: 4
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -165.155669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.155669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.155669 (E_RNA)
where:
Base-Base interactions energy: -109.720
where: short stacking energy: -52.304
Base-Backbone interact. energy: -0.215
local terms energy: -55.221084
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -10.872
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -9.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -159.751209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.751209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.751209 (E_RNA)
where:
Base-Base interactions energy: -96.297
where: short stacking energy: -47.322
Base-Backbone interact. energy: 0.164
local terms energy: -63.618041
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -11.998
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: 8
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -101.308399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.308399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.308399 (E_RNA)
where:
Base-Base interactions energy: -47.053
where: short stacking energy: -35.951
Base-Backbone interact. energy: -0.187
local terms energy: -54.067771
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -17.429
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -5.388
tors. eta vs tors. theta energy: -4.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -98.243099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.243099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.243099 (E_RNA)
where:
Base-Base interactions energy: -48.043
where: short stacking energy: -48.043
Base-Backbone interact. energy: 0.547
local terms energy: -50.747289
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -4.082
tors. eta vs tors. theta energy: -8.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -77.013373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.013373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.013373 (E_RNA)
where:
Base-Base interactions energy: -22.810
where: short stacking energy: -22.810
Base-Backbone interact. energy: -0.034
local terms energy: -54.169992
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -11.483
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -5.574
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: 10, replica: 1
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -76.794420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.794420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.794420 (E_RNA)
where:
Base-Base interactions energy: -23.049
where: short stacking energy: -23.049
Base-Backbone interact. energy: -0.051
local terms energy: -53.694116
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -0.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -224.474943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.474943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.474943 (E_RNA)
where:
Base-Base interactions energy: -150.774
where: short stacking energy: -66.819
Base-Backbone interact. energy: 0.366
local terms energy: -74.067017
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -13.993
tors. eta vs tors. theta energy: -16.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -219.311514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.311514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.311514 (E_RNA)
where:
Base-Base interactions energy: -150.859
where: short stacking energy: -62.774
Base-Backbone interact. energy: 1.799
local terms energy: -70.250827
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -13.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -214.036017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.036017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.036017 (E_RNA)
where:
Base-Base interactions energy: -136.351
where: short stacking energy: -63.467
Base-Backbone interact. energy: -0.001
local terms energy: -77.684856
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -18.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -207.348740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.348740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.348740 (E_RNA)
where:
Base-Base interactions energy: -137.180
where: short stacking energy: -55.505
Base-Backbone interact. energy: -0.041
local terms energy: -70.127813
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -15.205
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: 4
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -144.591656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.591656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.591656 (E_RNA)
where:
Base-Base interactions energy: -91.670
where: short stacking energy: -49.838
Base-Backbone interact. energy: -0.029
local terms energy: -52.892076
where:
bonds (distance) C4'-P energy: -7.811
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -7.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -146.162531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.162531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.162531 (E_RNA)
where:
Base-Base interactions energy: -88.562
where: short stacking energy: -33.197
Base-Backbone interact. energy: 0.220
local terms energy: -57.820874
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -2.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -84.086914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.086914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.086914 (E_RNA)
where:
Base-Base interactions energy: -28.574
where: short stacking energy: -28.874
Base-Backbone interact. energy: -0.302
local terms energy: -55.211199
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -8.236
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -8.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -83.773401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.773401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.773401 (E_RNA)
where:
Base-Base interactions energy: -41.280
where: short stacking energy: -38.479
Base-Backbone interact. energy: -0.100
local terms energy: -42.393872
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -10.585
flat angles C4'-P-C4' energy: -9.020
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -5.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -87.710551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.710551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.710551 (E_RNA)
where:
Base-Base interactions energy: -37.017
where: short stacking energy: -32.188
Base-Backbone interact. energy: -0.097
local terms energy: -50.597139
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -11.890
flat angles P-C4'-P energy: -6.634
tors. eta vs tors. theta energy: -4.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -70.561380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.561380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.561380 (E_RNA)
where:
Base-Base interactions energy: -20.208
where: short stacking energy: -15.938
Base-Backbone interact. energy: -0.309
local terms energy: -50.044993
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -5.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -227.745307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.745307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.745307 (E_RNA)
where:
Base-Base interactions energy: -150.098
where: short stacking energy: -73.599
Base-Backbone interact. energy: -0.001
local terms energy: -77.647061
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -19.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -216.532860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.532860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.532860 (E_RNA)
where:
Base-Base interactions energy: -139.050
where: short stacking energy: -65.014
Base-Backbone interact. energy: -0.002
local terms energy: -77.480782
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -21.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -212.306390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.306390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.306390 (E_RNA)
where:
Base-Base interactions energy: -140.880
where: short stacking energy: -64.068
Base-Backbone interact. energy: -0.044
local terms energy: -71.382357
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -20.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -187.983788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.983788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.983788 (E_RNA)
where:
Base-Base interactions energy: -119.811
where: short stacking energy: -58.277
Base-Backbone interact. energy: -0.033
local terms energy: -68.140661
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -14.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -175.751003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.751003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.751003 (E_RNA)
where:
Base-Base interactions energy: -106.989
where: short stacking energy: -53.658
Base-Backbone interact. energy: -0.574
local terms energy: -68.188302
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -16.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -150.579676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.579676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.579676 (E_RNA)
where:
Base-Base interactions energy: -92.944
where: short stacking energy: -52.543
Base-Backbone interact. energy: 1.718
local terms energy: -59.352919
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -9.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -88.180401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.180401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.180401 (E_RNA)
where:
Base-Base interactions energy: -40.238
where: short stacking energy: -27.581
Base-Backbone interact. energy: 0.764
local terms energy: -48.706377
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -0.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -79.536952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.536952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.536952 (E_RNA)
where:
Base-Base interactions energy: -26.048
where: short stacking energy: -26.048
Base-Backbone interact. energy: -0.602
local terms energy: -52.886659
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -0.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -77.795191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.795191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.795191 (E_RNA)
where:
Base-Base interactions energy: -33.026
where: short stacking energy: -26.328
Base-Backbone interact. energy: 0.748
local terms energy: -45.517450
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -7.879
flat angles P-C4'-P energy: -1.911
tors. eta vs tors. theta energy: -4.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -77.728230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.728230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.728230 (E_RNA)
where:
Base-Base interactions energy: -33.947
where: short stacking energy: -21.064
Base-Backbone interact. energy: -0.388
local terms energy: -43.392480
where:
bonds (distance) C4'-P energy: -9.801
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -11.225
flat angles P-C4'-P energy: -5.275
tors. eta vs tors. theta energy: -0.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -216.984942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.984942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.984942 (E_RNA)
where:
Base-Base interactions energy: -142.033
where: short stacking energy: -65.835
Base-Backbone interact. energy: -0.018
local terms energy: -74.934419
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -16.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -223.267595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.267595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.267595 (E_RNA)
where:
Base-Base interactions energy: -145.937
where: short stacking energy: -68.887
Base-Backbone interact. energy: -0.000
local terms energy: -77.330517
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -21.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -217.083529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.083529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.083529 (E_RNA)
where:
Base-Base interactions energy: -141.460
where: short stacking energy: -68.670
Base-Backbone interact. energy: -0.050
local terms energy: -75.573155
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -22.465
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: 4
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -198.484727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.484727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.484727 (E_RNA)
where:
Base-Base interactions energy: -134.285
where: short stacking energy: -58.026
Base-Backbone interact. energy: -0.013
local terms energy: -64.186408
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -10.194
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -16.978
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: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -172.114231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.114231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.114231 (E_RNA)
where:
Base-Base interactions energy: -107.036
where: short stacking energy: -53.932
Base-Backbone interact. energy: -0.111
local terms energy: -64.967673
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -10.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -154.993840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.993840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.993840 (E_RNA)
where:
Base-Base interactions energy: -91.045
where: short stacking energy: -47.440
Base-Backbone interact. energy: -0.063
local terms energy: -63.886710
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -13.708
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: 9
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -92.730156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.730156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.730156 (E_RNA)
where:
Base-Base interactions energy: -39.593
where: short stacking energy: -25.594
Base-Backbone interact. energy: -0.419
local terms energy: -52.718324
where:
bonds (distance) C4'-P energy: -7.504
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -6.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -85.834772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.834772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.834772 (E_RNA)
where:
Base-Base interactions energy: -32.349
where: short stacking energy: -22.809
Base-Backbone interact. energy: -0.065
local terms energy: -53.420708
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -3.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -85.012519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.012519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.012519 (E_RNA)
where:
Base-Base interactions energy: -32.142
where: short stacking energy: -28.967
Base-Backbone interact. energy: -0.047
local terms energy: -52.823365
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -12.665
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -6.363
tors. eta vs tors. theta energy: -4.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -73.760630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.760630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.760630 (E_RNA)
where:
Base-Base interactions energy: -25.847
where: short stacking energy: -22.678
Base-Backbone interact. energy: 0.328
local terms energy: -48.241428
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: 1.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -206.787674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.787674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.787674 (E_RNA)
where:
Base-Base interactions energy: -134.603
where: short stacking energy: -66.867
Base-Backbone interact. energy: -0.037
local terms energy: -72.147926
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -15.260
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: 10
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -223.957563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.957563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.957563 (E_RNA)
where:
Base-Base interactions energy: -150.420
where: short stacking energy: -67.027
Base-Backbone interact. energy: -0.081
local terms energy: -73.456471
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -15.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -222.371404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.371404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.371404 (E_RNA)
where:
Base-Base interactions energy: -146.092
where: short stacking energy: -65.770
Base-Backbone interact. energy: -0.030
local terms energy: -76.248749
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -13.322
tors. eta vs tors. theta energy: -18.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -180.703432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.703432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.703432 (E_RNA)
where:
Base-Base interactions energy: -103.705
where: short stacking energy: -53.948
Base-Backbone interact. energy: -0.000
local terms energy: -76.998661
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -17.478
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -15.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -168.662372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.662372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.662372 (E_RNA)
where:
Base-Base interactions energy: -111.250
where: short stacking energy: -60.933
Base-Backbone interact. energy: -0.128
local terms energy: -57.284713
where:
bonds (distance) C4'-P energy: -8.574
bonds (distance) P-C4' energy: -9.776
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -16.072
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: 5
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -154.634249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.634249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.634249 (E_RNA)
where:
Base-Base interactions energy: -96.317
where: short stacking energy: -55.689
Base-Backbone interact. energy: -0.152
local terms energy: -58.165595
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -9.346
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -11.059
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: 8
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -91.208521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.208521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.208521 (E_RNA)
where:
Base-Base interactions energy: -44.521
where: short stacking energy: -40.773
Base-Backbone interact. energy: -0.089
local terms energy: -46.598491
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -7.144
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -6.605
tors. eta vs tors. theta energy: -7.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -82.722687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.722687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.722687 (E_RNA)
where:
Base-Base interactions energy: -32.833
where: short stacking energy: -32.789
Base-Backbone interact. energy: -0.102
local terms energy: -49.787956
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -10.144
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -1.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -75.881245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.881245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.881245 (E_RNA)
where:
Base-Base interactions energy: -32.073
where: short stacking energy: -21.831
Base-Backbone interact. energy: -0.046
local terms energy: -43.762522
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: -4.078
tors. eta vs tors. theta energy: 3.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -86.636040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.636040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.636040 (E_RNA)
where:
Base-Base interactions energy: -33.692
where: short stacking energy: -32.856
Base-Backbone interact. energy: -0.217
local terms energy: -52.726955
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -9.661
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -9.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -210.709605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.709605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.709605 (E_RNA)
where:
Base-Base interactions energy: -137.703
where: short stacking energy: -63.340
Base-Backbone interact. energy: -0.027
local terms energy: -72.979967
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -17.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -226.857422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.857422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.857422 (E_RNA)
where:
Base-Base interactions energy: -152.965
where: short stacking energy: -64.434
Base-Backbone interact. energy: -0.005
local terms energy: -73.887191
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -20.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -216.131082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.131082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.131082 (E_RNA)
where:
Base-Base interactions energy: -136.094
where: short stacking energy: -63.729
Base-Backbone interact. energy: -0.049
local terms energy: -79.988577
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -22.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -174.162418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.162418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.162418 (E_RNA)
where:
Base-Base interactions energy: -120.872
where: short stacking energy: -49.584
Base-Backbone interact. energy: -0.164
local terms energy: -53.126952
where:
bonds (distance) C4'-P energy: -7.376
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -6.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -186.069908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.069908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.069908 (E_RNA)
where:
Base-Base interactions energy: -124.618
where: short stacking energy: -57.079
Base-Backbone interact. energy: -0.311
local terms energy: -61.140629
where:
bonds (distance) C4'-P energy: -9.288
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -15.211
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: 5
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -172.370063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.370063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.370063 (E_RNA)
where:
Base-Base interactions energy: -104.671
where: short stacking energy: -44.715
Base-Backbone interact. energy: -0.898
local terms energy: -66.801654
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -15.664
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: 7, replica: 8
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -82.638494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.638494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.638494 (E_RNA)
where:
Base-Base interactions energy: -31.220
where: short stacking energy: -29.240
Base-Backbone interact. energy: -0.234
local terms energy: -51.184828
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -10.732
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: -2.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -76.230815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.230815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.230815 (E_RNA)
where:
Base-Base interactions energy: -22.974
where: short stacking energy: -21.974
Base-Backbone interact. energy: 0.694
local terms energy: -53.950726
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -12.332
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -3.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -79.407868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.407868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.407868 (E_RNA)
where:
Base-Base interactions energy: -26.873
where: short stacking energy: -27.073
Base-Backbone interact. energy: -0.208
local terms energy: -52.327490
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: -5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -69.110148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.110148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.110148 (E_RNA)
where:
Base-Base interactions energy: -17.200
where: short stacking energy: -17.200
Base-Backbone interact. energy: -0.220
local terms energy: -51.690140
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: 2.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -227.029812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.029812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.029812 (E_RNA)
where:
Base-Base interactions energy: -144.921
where: short stacking energy: -65.148
Base-Backbone interact. energy: -0.030
local terms energy: -82.079063
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -20.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -210.898709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.898709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.898709 (E_RNA)
where:
Base-Base interactions energy: -137.789
where: short stacking energy: -60.728
Base-Backbone interact. energy: -0.029
local terms energy: -73.080771
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -18.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -211.764221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.764221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.764221 (E_RNA)
where:
Base-Base interactions energy: -136.702
where: short stacking energy: -61.199
Base-Backbone interact. energy: -0.530
local terms energy: -74.532757
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -20.263
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: 4, replica: 2
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -176.363674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.363674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.363674 (E_RNA)
where:
Base-Base interactions energy: -105.842
where: short stacking energy: -57.479
Base-Backbone interact. energy: -1.330
local terms energy: -69.191716
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -13.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -192.559405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.559405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.559405 (E_RNA)
where:
Base-Base interactions energy: -127.331
where: short stacking energy: -56.846
Base-Backbone interact. energy: -0.094
local terms energy: -65.134566
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -18.137
flat angles P-C4'-P energy: -3.106
tors. eta vs tors. theta energy: -12.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -201.443808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.443808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.443808 (E_RNA)
where:
Base-Base interactions energy: -125.897
where: short stacking energy: -62.686
Base-Backbone interact. energy: -0.011
local terms energy: -75.536045
where:
bonds (distance) C4'-P energy: -17.605
bonds (distance) P-C4' energy: -8.129
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -20.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -90.998375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.998375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.998375 (E_RNA)
where:
Base-Base interactions energy: -36.842
where: short stacking energy: -35.917
Base-Backbone interact. energy: -0.123
local terms energy: -54.033504
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -3.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -79.213624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.213624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.213624 (E_RNA)
where:
Base-Base interactions energy: -37.651
where: short stacking energy: -21.278
Base-Backbone interact. energy: -0.211
local terms energy: -41.351597
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -5.469
flat angles P-C4'-P energy: -5.565
tors. eta vs tors. theta energy: -0.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -81.654140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.654140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.654140 (E_RNA)
where:
Base-Base interactions energy: -29.102
where: short stacking energy: -25.978
Base-Backbone interact. energy: -0.025
local terms energy: -52.526664
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -6.118
tors. eta vs tors. theta energy: -3.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -64.467631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.467631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.467631 (E_RNA)
where:
Base-Base interactions energy: -13.322
where: short stacking energy: -12.672
Base-Backbone interact. energy: -0.588
local terms energy: -50.556889
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -5.634
tors. eta vs tors. theta energy: 1.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -229.497558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.497558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.497558 (E_RNA)
where:
Base-Base interactions energy: -149.744
where: short stacking energy: -61.662
Base-Backbone interact. energy: -0.101
local terms energy: -79.652245
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -21.113
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: 475
Temperature: 0.950000
Total energy: -224.779624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.779624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.779624 (E_RNA)
where:
Base-Base interactions energy: -150.554
where: short stacking energy: -68.299
Base-Backbone interact. energy: -0.010
local terms energy: -74.215093
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -22.576
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: 3
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -207.153693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.153693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.153693 (E_RNA)
where:
Base-Base interactions energy: -137.022
where: short stacking energy: -53.842
Base-Backbone interact. energy: -0.323
local terms energy: -69.808641
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -18.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -193.566211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.566211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.566211 (E_RNA)
where:
Base-Base interactions energy: -127.498
where: short stacking energy: -63.735
Base-Backbone interact. energy: -0.579
local terms energy: -65.489157
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -5.695
tors. eta vs tors. theta energy: -17.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -209.445183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.445183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.445183 (E_RNA)
where:
Base-Base interactions energy: -127.180
where: short stacking energy: -61.821
Base-Backbone interact. energy: -0.003
local terms energy: -82.262552
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -20.435
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: 475
Temperature: 1.150000
Total energy: -189.606609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.606609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.606609 (E_RNA)
where:
Base-Base interactions energy: -120.609
where: short stacking energy: -56.522
Base-Backbone interact. energy: -0.096
local terms energy: -68.901659
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -17.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -95.849257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.849257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.849257 (E_RNA)
where:
Base-Base interactions energy: -39.270
where: short stacking energy: -39.270
Base-Backbone interact. energy: -0.018
local terms energy: -56.560980
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -5.362
tors. eta vs tors. theta energy: -8.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -81.537546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.537546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.537546 (E_RNA)
where:
Base-Base interactions energy: -30.031
where: short stacking energy: -15.950
Base-Backbone interact. energy: -0.350
local terms energy: -51.156214
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -16.380
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: 5.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -76.529006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.529006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.529006 (E_RNA)
where:
Base-Base interactions energy: -29.356
where: short stacking energy: -19.344
Base-Backbone interact. energy: -0.198
local terms energy: -46.974600
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -10.991
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: 3.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -64.846579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.846579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.846579 (E_RNA)
where:
Base-Base interactions energy: -16.500
where: short stacking energy: -15.834
Base-Backbone interact. energy: -0.180
local terms energy: -48.166053
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -11.320
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: 1.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -231.243433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.243433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.243433 (E_RNA)
where:
Base-Base interactions energy: -156.180
where: short stacking energy: -67.938
Base-Backbone interact. energy: -0.537
local terms energy: -74.526754
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -19.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -225.985927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.985927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.985927 (E_RNA)
where:
Base-Base interactions energy: -144.935
where: short stacking energy: -69.469
Base-Backbone interact. energy: -0.673
local terms energy: -80.378041
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -20.002
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: 5
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -204.326547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.326547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.326547 (E_RNA)
where:
Base-Base interactions energy: -135.327
where: short stacking energy: -61.492
Base-Backbone interact. energy: -0.002
local terms energy: -68.997273
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -17.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -208.801808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.801808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.801808 (E_RNA)
where:
Base-Base interactions energy: -130.416
where: short stacking energy: -65.227
Base-Backbone interact. energy: -0.020
local terms energy: -78.365986
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -19.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -207.830057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.830057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.830057 (E_RNA)
where:
Base-Base interactions energy: -131.655
where: short stacking energy: -63.429
Base-Backbone interact. energy: -0.625
local terms energy: -75.550320
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -20.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -173.585535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.585535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.585535 (E_RNA)
where:
Base-Base interactions energy: -111.254
where: short stacking energy: -51.521
Base-Backbone interact. energy: -1.230
local terms energy: -61.101539
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -10.107
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: 7, replica: 1
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -86.031189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.031189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.031189 (E_RNA)
where:
Base-Base interactions energy: -30.920
where: short stacking energy: -27.352
Base-Backbone interact. energy: 0.099
local terms energy: -55.209520
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -2.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -79.503565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.503565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.503565 (E_RNA)
where:
Base-Base interactions energy: -42.862
where: short stacking energy: -19.372
Base-Backbone interact. energy: -0.142
local terms energy: -36.499785
where:
bonds (distance) C4'-P energy: -7.435
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: 1.286
tors. eta vs tors. theta energy: 0.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -81.899781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.899781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.899781 (E_RNA)
where:
Base-Base interactions energy: -28.809
where: short stacking energy: -27.895
Base-Backbone interact. energy: -0.040
local terms energy: -53.050095
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -11.441
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -2.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -68.279894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.279894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.279894 (E_RNA)
where:
Base-Base interactions energy: -26.733
where: short stacking energy: -17.832
Base-Backbone interact. energy: -0.848
local terms energy: -40.698933
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -8.071
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -3.542
tors. eta vs tors. theta energy: 1.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -225.300577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.300577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.300577 (E_RNA)
where:
Base-Base interactions energy: -149.376
where: short stacking energy: -69.105
Base-Backbone interact. energy: 0.105
local terms energy: -76.029242
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -21.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -213.439823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.439823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.439823 (E_RNA)
where:
Base-Base interactions energy: -139.109
where: short stacking energy: -61.370
Base-Backbone interact. energy: -0.034
local terms energy: -74.296203
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -17.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -210.097908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.097908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.097908 (E_RNA)
where:
Base-Base interactions energy: -137.260
where: short stacking energy: -64.965
Base-Backbone interact. energy: -0.050
local terms energy: -72.788179
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -10.968
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -20.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -207.226341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.226341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.226341 (E_RNA)
where:
Base-Base interactions energy: -138.804
where: short stacking energy: -60.939
Base-Backbone interact. energy: -0.013
local terms energy: -68.409925
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -6.787
tors. eta vs tors. theta energy: -17.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -205.166270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.166270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.166270 (E_RNA)
where:
Base-Base interactions energy: -141.960
where: short stacking energy: -62.213
Base-Backbone interact. energy: -0.011
local terms energy: -63.195750
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -7.655
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -17.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -170.537479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.537479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.537479 (E_RNA)
where:
Base-Base interactions energy: -107.926
where: short stacking energy: -41.627
Base-Backbone interact. energy: -0.077
local terms energy: -62.534689
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -5.205
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -16.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -113.828331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.828331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.828331 (E_RNA)
where:
Base-Base interactions energy: -57.960
where: short stacking energy: -28.589
Base-Backbone interact. energy: -0.190
local terms energy: -55.678821
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -5.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -92.885866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.885866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.885866 (E_RNA)
where:
Base-Base interactions energy: -41.583
where: short stacking energy: -41.583
Base-Backbone interact. energy: -0.099
local terms energy: -51.203751
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -8.683
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -9.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -96.192445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.192445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.192445 (E_RNA)
where:
Base-Base interactions energy: -52.322
where: short stacking energy: -27.251
Base-Backbone interact. energy: -0.189
local terms energy: -43.680763
where:
bonds (distance) C4'-P energy: -9.437
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: 4.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -72.957030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.957030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.957030 (E_RNA)
where:
Base-Base interactions energy: -34.552
where: short stacking energy: -16.642
Base-Backbone interact. energy: -0.059
local terms energy: -38.346067
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -9.413
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: 2.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -220.163020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.163020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.163020 (E_RNA)
where:
Base-Base interactions energy: -150.475
where: short stacking energy: -64.410
Base-Backbone interact. energy: -0.001
local terms energy: -69.687615
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -6.498
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -21.799
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: 10
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -221.100617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.100617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.100617 (E_RNA)
where:
Base-Base interactions energy: -142.985
where: short stacking energy: -70.152
Base-Backbone interact. energy: -0.006
local terms energy: -78.108970
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -19.736
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: 2
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -194.915061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.915061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.915061 (E_RNA)
where:
Base-Base interactions energy: -119.175
where: short stacking energy: -57.267
Base-Backbone interact. energy: -0.093
local terms energy: -75.646813
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: -16.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -209.736069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.736069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.736069 (E_RNA)
where:
Base-Base interactions energy: -129.183
where: short stacking energy: -64.290
Base-Backbone interact. energy: -0.008
local terms energy: -80.544514
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -19.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -205.751717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.751717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.751717 (E_RNA)
where:
Base-Base interactions energy: -132.070
where: short stacking energy: -58.927
Base-Backbone interact. energy: -0.027
local terms energy: -73.654355
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -11.875
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -18.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -187.727685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.727685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.727685 (E_RNA)
where:
Base-Base interactions energy: -116.239
where: short stacking energy: -53.520
Base-Backbone interact. energy: -0.019
local terms energy: -71.470394
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -18.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -87.022781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.022781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.022781 (E_RNA)
where:
Base-Base interactions energy: -33.854
where: short stacking energy: -33.854
Base-Backbone interact. energy: -0.018
local terms energy: -53.150725
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -11.155
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -7.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -75.726939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.726939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.726939 (E_RNA)
where:
Base-Base interactions energy: -31.183
where: short stacking energy: -21.155
Base-Backbone interact. energy: -0.052
local terms energy: -44.491840
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -6.678
tors. eta vs tors. theta energy: 1.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -79.976463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.976463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.976463 (E_RNA)
where:
Base-Base interactions energy: -32.329
where: short stacking energy: -23.978
Base-Backbone interact. energy: -0.360
local terms energy: -47.287286
where:
bonds (distance) C4'-P energy: -9.045
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: 0.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -80.151894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.151894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.151894 (E_RNA)
where:
Base-Base interactions energy: -39.044
where: short stacking energy: -28.134
Base-Backbone interact. energy: -0.879
local terms energy: -40.228897
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -8.355
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: 1.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -216.391089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.391089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.391089 (E_RNA)
where:
Base-Base interactions energy: -145.130
where: short stacking energy: -70.416
Base-Backbone interact. energy: -0.007
local terms energy: -71.254196
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -4.904
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: 2, replica: 10
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -224.277716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.277716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.277716 (E_RNA)
where:
Base-Base interactions energy: -152.058
where: short stacking energy: -64.474
Base-Backbone interact. energy: 1.328
local terms energy: -73.547118
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -15.989
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: 3, replica: 2
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -201.424173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.424173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.424173 (E_RNA)
where:
Base-Base interactions energy: -132.972
where: short stacking energy: -63.086
Base-Backbone interact. energy: -0.117
local terms energy: -68.334263
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -17.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -204.790055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.790055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.790055 (E_RNA)
where:
Base-Base interactions energy: -131.150
where: short stacking energy: -63.494
Base-Backbone interact. energy: -0.172
local terms energy: -73.468320
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -18.910
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: 5, replica: 7
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -197.311811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.311811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.311811 (E_RNA)
where:
Base-Base interactions energy: -131.320
where: short stacking energy: -56.220
Base-Backbone interact. energy: -0.197
local terms energy: -65.794845
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -6.447
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -17.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -182.517522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.517522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.517522 (E_RNA)
where:
Base-Base interactions energy: -120.273
where: short stacking energy: -45.408
Base-Backbone interact. energy: -0.035
local terms energy: -62.209922
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -12.226
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -14.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -83.866897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.866897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.866897 (E_RNA)
where:
Base-Base interactions energy: -34.814
where: short stacking energy: -25.313
Base-Backbone interact. energy: 0.428
local terms energy: -49.480824
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -9.172
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -4.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -92.431919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.431919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.431919 (E_RNA)
where:
Base-Base interactions energy: -42.431
where: short stacking energy: -30.811
Base-Backbone interact. energy: -0.276
local terms energy: -49.724743
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -9.704
flat angles P-C4'-P energy: -4.892
tors. eta vs tors. theta energy: -7.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -78.501469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.501469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.501469 (E_RNA)
where:
Base-Base interactions energy: -31.232
where: short stacking energy: -30.977
Base-Backbone interact. energy: 0.082
local terms energy: -47.351548
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -15.369
flat angles C4'-P-C4' energy: -9.204
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -0.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -74.182397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.182397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.182397 (E_RNA)
where:
Base-Base interactions energy: -31.015
where: short stacking energy: -23.455
Base-Backbone interact. energy: 0.213
local terms energy: -43.380251
where:
bonds (distance) C4'-P energy: -5.771
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: 2.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -222.746121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.746121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.746121 (E_RNA)
where:
Base-Base interactions energy: -145.503
where: short stacking energy: -62.862
Base-Backbone interact. energy: -0.004
local terms energy: -77.239011
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -18.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -221.195457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.195457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.195457 (E_RNA)
where:
Base-Base interactions energy: -146.231
where: short stacking energy: -63.761
Base-Backbone interact. energy: -0.001
local terms energy: -74.963182
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -18.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -220.259027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.259027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.259027 (E_RNA)
where:
Base-Base interactions energy: -144.400
where: short stacking energy: -62.714
Base-Backbone interact. energy: -0.082
local terms energy: -75.777006
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -20.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -216.849717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.849717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.849717 (E_RNA)
where:
Base-Base interactions energy: -145.440
where: short stacking energy: -62.438
Base-Backbone interact. energy: -0.078
local terms energy: -71.331845
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -18.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -198.458035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.458035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.458035 (E_RNA)
where:
Base-Base interactions energy: -127.748
where: short stacking energy: -58.483
Base-Backbone interact. energy: -0.007
local terms energy: -70.703263
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -18.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -164.998771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.998771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.998771 (E_RNA)
where:
Base-Base interactions energy: -97.770
where: short stacking energy: -51.990
Base-Backbone interact. energy: -0.000
local terms energy: -67.228778
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -12.640
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: 1
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -104.593267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.593267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.593267 (E_RNA)
where:
Base-Base interactions energy: -45.216
where: short stacking energy: -24.800
Base-Backbone interact. energy: -0.667
local terms energy: -58.711140
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -4.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -84.023315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.023315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.023315 (E_RNA)
where:
Base-Base interactions energy: -36.306
where: short stacking energy: -23.324
Base-Backbone interact. energy: -0.494
local terms energy: -47.223028
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: 0.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -79.251938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.251938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.251938 (E_RNA)
where:
Base-Base interactions energy: -35.279
where: short stacking energy: -19.737
Base-Backbone interact. energy: 2.543
local terms energy: -46.515533
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -2.513
tors. eta vs tors. theta energy: 0.147
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: 10, replica: 6
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -71.078976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.078976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.078976 (E_RNA)
where:
Base-Base interactions energy: -31.851
where: short stacking energy: -25.127
Base-Backbone interact. energy: 1.808
local terms energy: -41.036216
where:
bonds (distance) C4'-P energy: -9.784
bonds (distance) P-C4' energy: -10.386
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -5.077
tors. eta vs tors. theta energy: -2.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -223.514524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.514524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.514524 (E_RNA)
where:
Base-Base interactions energy: -148.069
where: short stacking energy: -61.972
Base-Backbone interact. energy: -0.601
local terms energy: -74.844267
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -13.321
tors. eta vs tors. theta energy: -16.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -221.380399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.380399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.380399 (E_RNA)
where:
Base-Base interactions energy: -146.111
where: short stacking energy: -69.670
Base-Backbone interact. energy: -0.001
local terms energy: -75.268127
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -20.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -212.901098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.901098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.901098 (E_RNA)
where:
Base-Base interactions energy: -137.943
where: short stacking energy: -61.104
Base-Backbone interact. energy: -0.073
local terms energy: -74.884641
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -16.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -205.572953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.572953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.572953 (E_RNA)
where:
Base-Base interactions energy: -136.320
where: short stacking energy: -65.017
Base-Backbone interact. energy: -1.402
local terms energy: -67.850284
where:
bonds (distance) C4'-P energy: -8.841
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -20.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -199.583613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.583613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.583613 (E_RNA)
where:
Base-Base interactions energy: -120.747
where: short stacking energy: -60.765
Base-Backbone interact. energy: -0.192
local terms energy: -78.644519
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -20.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -175.391757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.391757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.391757 (E_RNA)
where:
Base-Base interactions energy: -109.992
where: short stacking energy: -54.776
Base-Backbone interact. energy: -0.018
local terms energy: -65.381114
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -16.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -99.973572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.973572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.973572 (E_RNA)
where:
Base-Base interactions energy: -42.298
where: short stacking energy: -31.409
Base-Backbone interact. energy: -0.219
local terms energy: -57.456399
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -7.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -110.617482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.617482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.617482 (E_RNA)
where:
Base-Base interactions energy: -69.598
where: short stacking energy: -25.814
Base-Backbone interact. energy: -0.309
local terms energy: -40.710056
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -8.413
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -0.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -82.822618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.822618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.822618 (E_RNA)
where:
Base-Base interactions energy: -31.283
where: short stacking energy: -23.756
Base-Backbone interact. energy: -0.218
local terms energy: -51.321764
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -3.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -82.957596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.957596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.957596 (E_RNA)
where:
Base-Base interactions energy: -37.239
where: short stacking energy: -22.432
Base-Backbone interact. energy: -0.068
local terms energy: -45.650550
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -7.774
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -1.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -217.507756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.507756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.507756 (E_RNA)
where:
Base-Base interactions energy: -144.736
where: short stacking energy: -61.377
Base-Backbone interact. energy: -0.140
local terms energy: -72.631741
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -18.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -218.817432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.817432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.817432 (E_RNA)
where:
Base-Base interactions energy: -143.615
where: short stacking energy: -65.710
Base-Backbone interact. energy: -0.001
local terms energy: -75.200861
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -19.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -208.790435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.790435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.790435 (E_RNA)
where:
Base-Base interactions energy: -141.189
where: short stacking energy: -60.227
Base-Backbone interact. energy: -0.417
local terms energy: -67.184279
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -11.396
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -15.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -210.530716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.530716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.530716 (E_RNA)
where:
Base-Base interactions energy: -136.102
where: short stacking energy: -53.750
Base-Backbone interact. energy: -0.080
local terms energy: -74.348406
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -16.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -184.273309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.273309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.273309 (E_RNA)
where:
Base-Base interactions energy: -118.056
where: short stacking energy: -52.086
Base-Backbone interact. energy: -0.110
local terms energy: -66.106700
where:
bonds (distance) C4'-P energy: -7.582
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -13.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -163.228898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.228898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.228898 (E_RNA)
where:
Base-Base interactions energy: -100.107
where: short stacking energy: -37.833
Base-Backbone interact. energy: -0.001
local terms energy: -63.121323
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -14.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -104.327268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.327268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.327268 (E_RNA)
where:
Base-Base interactions energy: -43.552
where: short stacking energy: -30.743
Base-Backbone interact. energy: -0.440
local terms energy: -60.335099
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -7.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -96.040419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.040419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.040419 (E_RNA)
where:
Base-Base interactions energy: -45.159
where: short stacking energy: -21.605
Base-Backbone interact. energy: -0.183
local terms energy: -50.697895
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -10.624
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -2.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -81.282593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.282593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.282593 (E_RNA)
where:
Base-Base interactions energy: -31.452
where: short stacking energy: -21.217
Base-Backbone interact. energy: -0.110
local terms energy: -49.721209
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -4.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -85.081412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.081412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.081412 (E_RNA)
where:
Base-Base interactions energy: -34.441
where: short stacking energy: -26.982
Base-Backbone interact. energy: 0.294
local terms energy: -50.934393
where:
bonds (distance) C4'-P energy: -8.211
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -1.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -218.444717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.444717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.444717 (E_RNA)
where:
Base-Base interactions energy: -142.826
where: short stacking energy: -65.660
Base-Backbone interact. energy: -0.338
local terms energy: -75.280476
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -17.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -224.142795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.142795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.142795 (E_RNA)
where:
Base-Base interactions energy: -152.379
where: short stacking energy: -68.927
Base-Backbone interact. energy: -0.057
local terms energy: -71.706621
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -18.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -196.024655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.024655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.024655 (E_RNA)
where:
Base-Base interactions energy: -133.900
where: short stacking energy: -60.129
Base-Backbone interact. energy: -0.078
local terms energy: -62.046751
where:
bonds (distance) C4'-P energy: -8.105
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -18.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -220.150183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.150183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.150183 (E_RNA)
where:
Base-Base interactions energy: -152.631
where: short stacking energy: -70.867
Base-Backbone interact. energy: -0.090
local terms energy: -67.429195
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -9.567
flat angles C4'-P-C4' energy: -16.650
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -22.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -169.695653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.695653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.695653 (E_RNA)
where:
Base-Base interactions energy: -105.416
where: short stacking energy: -46.732
Base-Backbone interact. energy: -0.513
local terms energy: -63.766924
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -12.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -194.879128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.879128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.879128 (E_RNA)
where:
Base-Base interactions energy: -128.225
where: short stacking energy: -63.785
Base-Backbone interact. energy: -0.349
local terms energy: -66.305209
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -20.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -104.600041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.600041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.600041 (E_RNA)
where:
Base-Base interactions energy: -41.427
where: short stacking energy: -27.970
Base-Backbone interact. energy: 0.684
local terms energy: -63.856936
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -4.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -82.616983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.616983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.616983 (E_RNA)
where:
Base-Base interactions energy: -37.449
where: short stacking energy: -28.617
Base-Backbone interact. energy: 0.504
local terms energy: -45.672478
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -7.585
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -0.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -76.539273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.539273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.539273 (E_RNA)
where:
Base-Base interactions energy: -35.986
where: short stacking energy: -28.175
Base-Backbone interact. energy: 2.999
local terms energy: -43.552205
where:
bonds (distance) C4'-P energy: -6.894
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -0.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -71.881920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.881920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.881920 (E_RNA)
where:
Base-Base interactions energy: -20.021
where: short stacking energy: -8.611
Base-Backbone interact. energy: -0.237
local terms energy: -51.624203
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -16.088
flat angles C4'-P-C4' energy: -9.808
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: 3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -226.063574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.063574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.063574 (E_RNA)
where:
Base-Base interactions energy: -143.489
where: short stacking energy: -64.540
Base-Backbone interact. energy: -0.097
local terms energy: -82.477775
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -17.777
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -20.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -212.488927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.488927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.488927 (E_RNA)
where:
Base-Base interactions energy: -141.827
where: short stacking energy: -63.048
Base-Backbone interact. energy: -0.067
local terms energy: -70.595542
where:
bonds (distance) C4'-P energy: -10.759
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -16.243
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: 3, replica: 2
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -213.832588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.832588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.832588 (E_RNA)
where:
Base-Base interactions energy: -136.269
where: short stacking energy: -60.853
Base-Backbone interact. energy: -0.097
local terms energy: -77.466595
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -22.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -195.863519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.863519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.863519 (E_RNA)
where:
Base-Base interactions energy: -122.307
where: short stacking energy: -57.422
Base-Backbone interact. energy: -0.017
local terms energy: -73.539577
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -14.873
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -19.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -200.597466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.597466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.597466 (E_RNA)
where:
Base-Base interactions energy: -134.994
where: short stacking energy: -66.791
Base-Backbone interact. energy: -0.018
local terms energy: -65.586099
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -12.102
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -13.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -167.567792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.567792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.567792 (E_RNA)
where:
Base-Base interactions energy: -110.518
where: short stacking energy: -57.223
Base-Backbone interact. energy: -0.000
local terms energy: -57.049455
where:
bonds (distance) C4'-P energy: -8.328
bonds (distance) P-C4' energy: -7.861
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -15.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -88.701044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.701044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.701044 (E_RNA)
where:
Base-Base interactions energy: -32.105
where: short stacking energy: -26.184
Base-Backbone interact. energy: -0.194
local terms energy: -56.401348
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -10.554
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -4.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -85.214293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.214293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.214293 (E_RNA)
where:
Base-Base interactions energy: -34.475
where: short stacking energy: -17.755
Base-Backbone interact. energy: -0.285
local terms energy: -50.454109
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -9.357
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: 1.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -95.984202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.984202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.984202 (E_RNA)
where:
Base-Base interactions energy: -51.195
where: short stacking energy: -26.352
Base-Backbone interact. energy: 3.037
local terms energy: -47.826922
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -12.705
flat angles C4'-P-C4' energy: -8.569
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -3.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -75.852560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.852560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.852560 (E_RNA)
where:
Base-Base interactions energy: -25.785
where: short stacking energy: -20.473
Base-Backbone interact. energy: -0.097
local terms energy: -49.970164
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -6.450
tors. eta vs tors. theta energy: -2.488
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: 5
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -236.126437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.126437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.126437 (E_RNA)
where:
Base-Base interactions energy: -159.883
where: short stacking energy: -70.655
Base-Backbone interact. energy: -0.082
local terms energy: -76.161816
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -16.971
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -20.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -216.649699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.649699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.649699 (E_RNA)
where:
Base-Base interactions energy: -137.957
where: short stacking energy: -63.728
Base-Backbone interact. energy: -0.001
local terms energy: -78.691511
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -20.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -204.089708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.089708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.089708 (E_RNA)
where:
Base-Base interactions energy: -135.977
where: short stacking energy: -56.167
Base-Backbone interact. energy: -0.122
local terms energy: -67.990144
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -15.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -219.509456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.509456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.509456 (E_RNA)
where:
Base-Base interactions energy: -139.046
where: short stacking energy: -65.965
Base-Backbone interact. energy: -0.042
local terms energy: -80.421030
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -23.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -210.338895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.338895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.338895 (E_RNA)
where:
Base-Base interactions energy: -132.859
where: short stacking energy: -59.717
Base-Backbone interact. energy: -0.027
local terms energy: -77.452624
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -20.433
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: 6, replica: 7
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -167.895885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.895885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.895885 (E_RNA)
where:
Base-Base interactions energy: -113.820
where: short stacking energy: -52.707
Base-Backbone interact. energy: -0.009
local terms energy: -54.066546
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -12.723
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -3.038
tors. eta vs tors. theta energy: -14.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -99.692891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.692891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.692891 (E_RNA)
where:
Base-Base interactions energy: -46.796
where: short stacking energy: -39.903
Base-Backbone interact. energy: -0.183
local terms energy: -52.713440
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -3.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -86.869786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.869786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.869786 (E_RNA)
where:
Base-Base interactions energy: -35.035
where: short stacking energy: -35.035
Base-Backbone interact. energy: -0.215
local terms energy: -51.619803
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -6.404
tors. eta vs tors. theta energy: -5.738
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: 9, replica: 1
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -76.304344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.304344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.304344 (E_RNA)
where:
Base-Base interactions energy: -31.254
where: short stacking energy: -16.796
Base-Backbone interact. energy: -0.230
local terms energy: -44.820636
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -10.894
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: 0.829
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: 10, replica: 8
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -73.517956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.517956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.517956 (E_RNA)
where:
Base-Base interactions energy: -32.383
where: short stacking energy: -23.260
Base-Backbone interact. energy: -0.118
local terms energy: -41.016341
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -4.625
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -0.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -225.047873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.047873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.047873 (E_RNA)
where:
Base-Base interactions energy: -153.545
where: short stacking energy: -65.175
Base-Backbone interact. energy: -0.060
local terms energy: -71.442838
where:
bonds (distance) C4'-P energy: -8.523
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -21.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -222.220793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.220793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.220793 (E_RNA)
where:
Base-Base interactions energy: -142.478
where: short stacking energy: -63.192
Base-Backbone interact. energy: -0.074
local terms energy: -79.668274
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -21.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -214.917758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.917758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.917758 (E_RNA)
where:
Base-Base interactions energy: -142.824
where: short stacking energy: -69.408
Base-Backbone interact. energy: 0.084
local terms energy: -72.177689
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -22.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -203.733120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.733120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.733120 (E_RNA)
where:
Base-Base interactions energy: -136.355
where: short stacking energy: -60.505
Base-Backbone interact. energy: -0.017
local terms energy: -67.360470
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -17.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -194.024542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.024542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.024542 (E_RNA)
where:
Base-Base interactions energy: -126.253
where: short stacking energy: -57.249
Base-Backbone interact. energy: -0.384
local terms energy: -67.387415
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -6.199
tors. eta vs tors. theta energy: -17.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -166.778796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.778796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.778796 (E_RNA)
where:
Base-Base interactions energy: -107.729
where: short stacking energy: -39.919
Base-Backbone interact. energy: -0.590
local terms energy: -58.459471
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -5.792
tors. eta vs tors. theta energy: -11.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -90.859962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.859962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.859962 (E_RNA)
where:
Base-Base interactions energy: -33.725
where: short stacking energy: -33.422
Base-Backbone interact. energy: -0.001
local terms energy: -57.134332
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -10.381
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -9.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -96.787740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.787740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.787740 (E_RNA)
where:
Base-Base interactions energy: -36.935
where: short stacking energy: -30.410
Base-Backbone interact. energy: -0.094
local terms energy: -59.758939
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -6.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -76.668538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.668538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.668538 (E_RNA)
where:
Base-Base interactions energy: -27.630
where: short stacking energy: -18.356
Base-Backbone interact. energy: -0.149
local terms energy: -48.890217
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: 1.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -79.727582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.727582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.727582 (E_RNA)
where:
Base-Base interactions energy: -31.049
where: short stacking energy: -29.864
Base-Backbone interact. energy: -0.106
local terms energy: -48.572124
where:
bonds (distance) C4'-P energy: -9.127
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -1.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -218.049181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.049181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.049181 (E_RNA)
where:
Base-Base interactions energy: -149.439
where: short stacking energy: -64.406
Base-Backbone interact. energy: -0.085
local terms energy: -68.525227
where:
bonds (distance) C4'-P energy: -9.781
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -5.127
tors. eta vs tors. theta energy: -19.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -223.399058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.399058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.399058 (E_RNA)
where:
Base-Base interactions energy: -141.528
where: short stacking energy: -66.714
Base-Backbone interact. energy: -0.021
local terms energy: -81.849826
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -20.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -217.984355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.984355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.984355 (E_RNA)
where:
Base-Base interactions energy: -145.262
where: short stacking energy: -65.117
Base-Backbone interact. energy: -0.002
local terms energy: -72.720267
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -4.350
tors. eta vs tors. theta energy: -24.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -208.143668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.143668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.143668 (E_RNA)
where:
Base-Base interactions energy: -145.478
where: short stacking energy: -60.738
Base-Backbone interact. energy: 0.889
local terms energy: -63.555374
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -15.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -200.838015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.838015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.838015 (E_RNA)
where:
Base-Base interactions energy: -129.705
where: short stacking energy: -57.164
Base-Backbone interact. energy: -0.001
local terms energy: -71.131969
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -20.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -165.033071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.033071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.033071 (E_RNA)
where:
Base-Base interactions energy: -102.826
where: short stacking energy: -41.951
Base-Backbone interact. energy: -0.065
local terms energy: -62.141864
where:
bonds (distance) C4'-P energy: -11.298
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -9.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -94.646411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.646411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.646411 (E_RNA)
where:
Base-Base interactions energy: -43.670
where: short stacking energy: -30.406
Base-Backbone interact. energy: -0.003
local terms energy: -50.972634
where:
bonds (distance) C4'-P energy: -8.455
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -11.173
flat angles P-C4'-P energy: -6.331
tors. eta vs tors. theta energy: -8.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -83.869585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.869585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.869585 (E_RNA)
where:
Base-Base interactions energy: -41.475
where: short stacking energy: -37.964
Base-Backbone interact. energy: -0.172
local terms energy: -42.222393
where:
bonds (distance) C4'-P energy: -9.490
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -9.742
flat angles P-C4'-P energy: -4.769
tors. eta vs tors. theta energy: -4.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -100.182311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.182311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.182311 (E_RNA)
where:
Base-Base interactions energy: -44.704
where: short stacking energy: -37.746
Base-Backbone interact. energy: -0.430
local terms energy: -55.048628
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -7.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -73.333387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.333387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.333387 (E_RNA)
where:
Base-Base interactions energy: -26.911
where: short stacking energy: -26.911
Base-Backbone interact. energy: 1.139
local terms energy: -47.561574
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -10.839
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -2.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -226.634435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.634435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.634435 (E_RNA)
where:
Base-Base interactions energy: -142.993
where: short stacking energy: -66.472
Base-Backbone interact. energy: -0.064
local terms energy: -83.577392
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -22.328
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: 3
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -220.349909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.349909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.349909 (E_RNA)
where:
Base-Base interactions energy: -142.216
where: short stacking energy: -69.415
Base-Backbone interact. energy: -0.069
local terms energy: -78.064791
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -22.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -218.430450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.430450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.430450 (E_RNA)
where:
Base-Base interactions energy: -138.351
where: short stacking energy: -66.734
Base-Backbone interact. energy: -0.060
local terms energy: -80.019347
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -21.951
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: 4
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -221.735305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.735305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.735305 (E_RNA)
where:
Base-Base interactions energy: -143.969
where: short stacking energy: -60.300
Base-Backbone interact. energy: -0.363
local terms energy: -77.403077
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -17.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -205.439465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.439465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.439465 (E_RNA)
where:
Base-Base interactions energy: -136.808
where: short stacking energy: -51.115
Base-Backbone interact. energy: 2.995
local terms energy: -71.626870
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -13.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -173.847423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.847423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.847423 (E_RNA)
where:
Base-Base interactions energy: -108.447
where: short stacking energy: -50.782
Base-Backbone interact. energy: 0.146
local terms energy: -65.547047
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -10.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -87.998032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.998032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.998032 (E_RNA)
where:
Base-Base interactions energy: -32.203
where: short stacking energy: -31.537
Base-Backbone interact. energy: -0.032
local terms energy: -55.763599
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -5.557
tors. eta vs tors. theta energy: -5.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -92.477290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.477290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.477290 (E_RNA)
where:
Base-Base interactions energy: -34.330
where: short stacking energy: -33.222
Base-Backbone interact. energy: -0.079
local terms energy: -58.068730
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -4.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -92.469148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.469148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.469148 (E_RNA)
where:
Base-Base interactions energy: -38.446
where: short stacking energy: -38.446
Base-Backbone interact. energy: -0.013
local terms energy: -54.010764
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -9.277
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -5.635
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: 488
Temperature: 1.350000
Total energy: -83.057193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.057193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.057193 (E_RNA)
where:
Base-Base interactions energy: -38.225
where: short stacking energy: -30.399
Base-Backbone interact. energy: -0.125
local terms energy: -44.707770
where:
bonds (distance) C4'-P energy: -9.621
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -7.561
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: 5
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -224.587166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.587166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.587166 (E_RNA)
where:
Base-Base interactions energy: -145.885
where: short stacking energy: -69.638
Base-Backbone interact. energy: -0.581
local terms energy: -78.121137
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -14.000
tors. eta vs tors. theta energy: -17.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -222.098939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.098939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.098939 (E_RNA)
where:
Base-Base interactions energy: -142.239
where: short stacking energy: -65.837
Base-Backbone interact. energy: -0.040
local terms energy: -79.820123
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -21.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -223.225436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.225436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.225436 (E_RNA)
where:
Base-Base interactions energy: -140.399
where: short stacking energy: -70.241
Base-Backbone interact. energy: 1.391
local terms energy: -84.217468
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -21.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -196.215832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.215832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.215832 (E_RNA)
where:
Base-Base interactions energy: -133.046
where: short stacking energy: -57.146
Base-Backbone interact. energy: -0.561
local terms energy: -62.608900
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -12.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -205.027349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.027349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.027349 (E_RNA)
where:
Base-Base interactions energy: -134.577
where: short stacking energy: -54.502
Base-Backbone interact. energy: -0.005
local terms energy: -70.444786
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -17.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -191.712301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.712301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.712301 (E_RNA)
where:
Base-Base interactions energy: -127.064
where: short stacking energy: -54.524
Base-Backbone interact. energy: -1.737
local terms energy: -62.911659
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -5.038
tors. eta vs tors. theta energy: -15.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -85.789454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.789454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.789454 (E_RNA)
where:
Base-Base interactions energy: -34.894
where: short stacking energy: -25.518
Base-Backbone interact. energy: -1.250
local terms energy: -49.646059
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -5.466
tors. eta vs tors. theta energy: 3.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -96.669585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.669585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.669585 (E_RNA)
where:
Base-Base interactions energy: -38.152
where: short stacking energy: -35.858
Base-Backbone interact. energy: -0.007
local terms energy: -58.509820
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -11.051
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -10.890
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: 9, replica: 1
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -88.650443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.650443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.650443 (E_RNA)
where:
Base-Base interactions energy: -34.945
where: short stacking energy: -31.260
Base-Backbone interact. energy: -0.828
local terms energy: -52.877666
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -4.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -71.534963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.534963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.534963 (E_RNA)
where:
Base-Base interactions energy: -22.953
where: short stacking energy: -22.157
Base-Backbone interact. energy: 1.495
local terms energy: -50.076316
where:
bonds (distance) C4'-P energy: -13.090
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -5.616
tors. eta vs tors. theta energy: -3.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -222.213919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.213919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.213919 (E_RNA)
where:
Base-Base interactions energy: -144.748
where: short stacking energy: -66.454
Base-Backbone interact. energy: -0.002
local terms energy: -77.464390
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -16.599
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -20.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -219.703666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.703666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.703666 (E_RNA)
where:
Base-Base interactions energy: -142.156
where: short stacking energy: -64.479
Base-Backbone interact. energy: -0.003
local terms energy: -77.544472
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -21.130
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: 3, replica: 10
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -215.117425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.117425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.117425 (E_RNA)
where:
Base-Base interactions energy: -141.498
where: short stacking energy: -66.358
Base-Backbone interact. energy: -0.109
local terms energy: -73.510270
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -18.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -223.700796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.700796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.700796 (E_RNA)
where:
Base-Base interactions energy: -143.493
where: short stacking energy: -70.314
Base-Backbone interact. energy: 0.009
local terms energy: -80.216476
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -18.098
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -21.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -212.273990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.273990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.273990 (E_RNA)
where:
Base-Base interactions energy: -138.098
where: short stacking energy: -62.116
Base-Backbone interact. energy: -0.047
local terms energy: -74.128310
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -20.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -199.355971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.355971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.355971 (E_RNA)
where:
Base-Base interactions energy: -125.913
where: short stacking energy: -52.793
Base-Backbone interact. energy: -0.006
local terms energy: -73.437285
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -18.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -95.799059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.799059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.799059 (E_RNA)
where:
Base-Base interactions energy: -39.080
where: short stacking energy: -32.930
Base-Backbone interact. energy: -0.202
local terms energy: -56.517489
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -5.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -98.782089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.782089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.782089 (E_RNA)
where:
Base-Base interactions energy: -49.981
where: short stacking energy: -36.249
Base-Backbone interact. energy: -0.120
local terms energy: -48.680548
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -16.739
flat angles C4'-P-C4' energy: -8.563
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -1.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -94.623349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.623349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.623349 (E_RNA)
where:
Base-Base interactions energy: -38.686
where: short stacking energy: -36.891
Base-Backbone interact. energy: -0.010
local terms energy: -55.927334
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -3.493
tors. eta vs tors. theta energy: -11.232
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: 490
Temperature: 1.350000
Total energy: -78.234153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.234153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.234153 (E_RNA)
where:
Base-Base interactions energy: -27.774
where: short stacking energy: -26.167
Base-Backbone interact. energy: -0.195
local terms energy: -50.264946
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -11.142
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -220.998848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.998848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.998848 (E_RNA)
where:
Base-Base interactions energy: -151.023
where: short stacking energy: -72.638
Base-Backbone interact. energy: -0.034
local terms energy: -69.942156
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -18.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -211.229313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.229313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.229313 (E_RNA)
where:
Base-Base interactions energy: -142.529
where: short stacking energy: -63.842
Base-Backbone interact. energy: -0.003
local terms energy: -68.697430
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -17.894
flat angles P-C4'-P energy: -3.788
tors. eta vs tors. theta energy: -17.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -213.190936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.190936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.190936 (E_RNA)
where:
Base-Base interactions energy: -148.988
where: short stacking energy: -59.783
Base-Backbone interact. energy: -0.113
local terms energy: -64.090012
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: -16.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -209.427211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.427211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.427211 (E_RNA)
where:
Base-Base interactions energy: -137.495
where: short stacking energy: -57.278
Base-Backbone interact. energy: -0.202
local terms energy: -71.730027
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -18.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -193.083681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.083681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.083681 (E_RNA)
where:
Base-Base interactions energy: -126.053
where: short stacking energy: -52.185
Base-Backbone interact. energy: -0.023
local terms energy: -67.007544
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -19.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -165.909508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.909508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.909508 (E_RNA)
where:
Base-Base interactions energy: -100.470
where: short stacking energy: -52.504
Base-Backbone interact. energy: -0.585
local terms energy: -64.854462
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -14.262
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: 8
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -87.048167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.048167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.048167 (E_RNA)
where:
Base-Base interactions energy: -30.467
where: short stacking energy: -24.777
Base-Backbone interact. energy: -0.128
local terms energy: -56.453268
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -4.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -83.307508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.307508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.307508 (E_RNA)
where:
Base-Base interactions energy: -33.021
where: short stacking energy: -31.674
Base-Backbone interact. energy: -0.257
local terms energy: -50.029376
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -1.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -90.513672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.513672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.513672 (E_RNA)
where:
Base-Base interactions energy: -49.944
where: short stacking energy: -26.976
Base-Backbone interact. energy: 1.818
local terms energy: -42.387710
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -4.093
tors. eta vs tors. theta energy: -1.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -80.562601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.562601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.562601 (E_RNA)
where:
Base-Base interactions energy: -28.416
where: short stacking energy: -23.370
Base-Backbone interact. energy: -0.199
local terms energy: -51.948071
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -2.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -219.887960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.887960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.887960 (E_RNA)
where:
Base-Base interactions energy: -140.645
where: short stacking energy: -57.011
Base-Backbone interact. energy: -0.060
local terms energy: -79.183722
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -212.945361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.945361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.945361 (E_RNA)
where:
Base-Base interactions energy: -137.043
where: short stacking energy: -65.681
Base-Backbone interact. energy: -0.001
local terms energy: -75.901460
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -19.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -223.476945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.476945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.476945 (E_RNA)
where:
Base-Base interactions energy: -145.742
where: short stacking energy: -70.118
Base-Backbone interact. energy: -0.020
local terms energy: -77.714168
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -20.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -206.665283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.665283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.665283 (E_RNA)
where:
Base-Base interactions energy: -143.403
where: short stacking energy: -63.008
Base-Backbone interact. energy: -0.021
local terms energy: -63.241047
where:
bonds (distance) C4'-P energy: -8.614
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -17.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -203.245533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.245533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.245533 (E_RNA)
where:
Base-Base interactions energy: -132.681
where: short stacking energy: -53.868
Base-Backbone interact. energy: 0.659
local terms energy: -71.223513
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -14.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -164.722256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.722256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.722256 (E_RNA)
where:
Base-Base interactions energy: -103.430
where: short stacking energy: -55.051
Base-Backbone interact. energy: -0.010
local terms energy: -61.282648
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -14.795
flat angles C4'-P-C4' energy: -10.279
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -11.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -95.874244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.874244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.874244 (E_RNA)
where:
Base-Base interactions energy: -38.749
where: short stacking energy: -38.749
Base-Backbone interact. energy: -0.027
local terms energy: -57.098783
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -6.460
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: 9
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -77.408777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.408777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.408777 (E_RNA)
where:
Base-Base interactions energy: -19.844
where: short stacking energy: -16.373
Base-Backbone interact. energy: -0.437
local terms energy: -57.127915
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -1.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -93.298467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.298467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.298467 (E_RNA)
where:
Base-Base interactions energy: -41.636
where: short stacking energy: -30.037
Base-Backbone interact. energy: 0.219
local terms energy: -51.881588
where:
bonds (distance) C4'-P energy: -8.167
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -5.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -80.340078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.340078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.340078 (E_RNA)
where:
Base-Base interactions energy: -31.610
where: short stacking energy: -31.610
Base-Backbone interact. energy: -0.157
local terms energy: -48.573570
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -0.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -217.138015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.138015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.138015 (E_RNA)
where:
Base-Base interactions energy: -143.871
where: short stacking energy: -60.474
Base-Backbone interact. energy: -0.035
local terms energy: -73.232261
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -16.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -217.163732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.163732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.163732 (E_RNA)
where:
Base-Base interactions energy: -145.461
where: short stacking energy: -64.476
Base-Backbone interact. energy: -0.040
local terms energy: -71.663229
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -18.114
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: 493
Temperature: 1.000000
Total energy: -222.711846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.711846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.711846 (E_RNA)
where:
Base-Base interactions energy: -140.649
where: short stacking energy: -64.092
Base-Backbone interact. energy: -0.038
local terms energy: -82.024364
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -22.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -215.359532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.359532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.359532 (E_RNA)
where:
Base-Base interactions energy: -143.828
where: short stacking energy: -69.246
Base-Backbone interact. energy: -0.024
local terms energy: -71.507437
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -16.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -205.262634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.262634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.262634 (E_RNA)
where:
Base-Base interactions energy: -138.705
where: short stacking energy: -60.576
Base-Backbone interact. energy: -0.005
local terms energy: -66.553190
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -16.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -148.819612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.819612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.819612 (E_RNA)
where:
Base-Base interactions energy: -84.625
where: short stacking energy: -47.989
Base-Backbone interact. energy: -0.664
local terms energy: -63.530531
where:
bonds (distance) C4'-P energy: -8.582
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -12.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -89.669742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.669742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.669742 (E_RNA)
where:
Base-Base interactions energy: -32.669
where: short stacking energy: -32.669
Base-Backbone interact. energy: -0.105
local terms energy: -56.895942
where:
bonds (distance) C4'-P energy: -11.964
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -7.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -83.692191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.692191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.692191 (E_RNA)
where:
Base-Base interactions energy: -30.016
where: short stacking energy: -16.533
Base-Backbone interact. energy: -0.480
local terms energy: -53.196255
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -7.256
tors. eta vs tors. theta energy: -2.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -81.185662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.185662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.185662 (E_RNA)
where:
Base-Base interactions energy: -25.511
where: short stacking energy: -23.914
Base-Backbone interact. energy: -0.053
local terms energy: -55.621472
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -3.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -80.008629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.008629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.008629 (E_RNA)
where:
Base-Base interactions energy: -27.814
where: short stacking energy: -24.871
Base-Backbone interact. energy: -0.050
local terms energy: -52.144817
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -9.381
flat angles P-C4'-P energy: -4.485
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: 1, replica: 10
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -213.619984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.619984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.619984 (E_RNA)
where:
Base-Base interactions energy: -141.338
where: short stacking energy: -63.702
Base-Backbone interact. energy: 1.025
local terms energy: -73.306582
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -14.484
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -18.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -220.350142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.350142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.350142 (E_RNA)
where:
Base-Base interactions energy: -138.915
where: short stacking energy: -68.825
Base-Backbone interact. energy: -0.010
local terms energy: -81.424726
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -14.013
tors. eta vs tors. theta energy: -19.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -223.090498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.090498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.090498 (E_RNA)
where:
Base-Base interactions energy: -142.188
where: short stacking energy: -66.355
Base-Backbone interact. energy: -0.000
local terms energy: -80.902227
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -22.536
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: 3
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -217.412728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.412728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.412728 (E_RNA)
where:
Base-Base interactions energy: -144.937
where: short stacking energy: -67.458
Base-Backbone interact. energy: -0.418
local terms energy: -72.058245
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -17.385
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -21.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -192.187425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.187425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.187425 (E_RNA)
where:
Base-Base interactions energy: -120.165
where: short stacking energy: -54.694
Base-Backbone interact. energy: -0.041
local terms energy: -71.981517
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -16.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -140.447762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.447762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.447762 (E_RNA)
where:
Base-Base interactions energy: -76.907
where: short stacking energy: -45.119
Base-Backbone interact. energy: -0.715
local terms energy: -62.825407
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -13.724
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -14.424
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: 8
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -92.227522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.227522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.227522 (E_RNA)
where:
Base-Base interactions energy: -39.724
where: short stacking energy: -27.422
Base-Backbone interact. energy: 0.071
local terms energy: -52.574180
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -5.495
tors. eta vs tors. theta energy: -4.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -78.451602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.451602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.451602 (E_RNA)
where:
Base-Base interactions energy: -29.303
where: short stacking energy: -29.303
Base-Backbone interact. energy: -0.140
local terms energy: -49.008897
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -11.709
flat angles C4'-P-C4' energy: -9.725
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -7.016
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: 6
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -92.045016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.045016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.045016 (E_RNA)
where:
Base-Base interactions energy: -44.378
where: short stacking energy: -43.543
Base-Backbone interact. energy: -0.064
local terms energy: -47.602832
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -7.668
flat angles P-C4'-P energy: -2.952
tors. eta vs tors. theta energy: -8.355
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: 9
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -70.904155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.904155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.904155 (E_RNA)
where:
Base-Base interactions energy: -29.403
where: short stacking energy: -28.522
Base-Backbone interact. energy: -0.156
local terms energy: -41.345623
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -2.231
tors. eta vs tors. theta energy: -1.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -216.753811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.753811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.753811 (E_RNA)
where:
Base-Base interactions energy: -136.901
where: short stacking energy: -58.697
Base-Backbone interact. energy: -0.003
local terms energy: -79.849623
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -19.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -220.271150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.271150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.271150 (E_RNA)
where:
Base-Base interactions energy: -145.394
where: short stacking energy: -65.060
Base-Backbone interact. energy: -0.015
local terms energy: -74.861755
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -18.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -216.420162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.420162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.420162 (E_RNA)
where:
Base-Base interactions energy: -140.387
where: short stacking energy: -59.112
Base-Backbone interact. energy: -0.031
local terms energy: -76.002139
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -22.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -218.724176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.724176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.724176 (E_RNA)
where:
Base-Base interactions energy: -140.095
where: short stacking energy: -64.666
Base-Backbone interact. energy: -0.529
local terms energy: -78.100473
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -21.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -185.677978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.677978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.677978 (E_RNA)
where:
Base-Base interactions energy: -124.229
where: short stacking energy: -61.860
Base-Backbone interact. energy: -0.097
local terms energy: -61.352161
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -14.268
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: 495
Temperature: 1.150000
Total energy: -95.837069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.837069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.837069 (E_RNA)
where:
Base-Base interactions energy: -48.803
where: short stacking energy: -26.866
Base-Backbone interact. energy: -1.126
local terms energy: -45.908394
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -8.211
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -1.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -87.600033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.600033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.600033 (E_RNA)
where:
Base-Base interactions energy: -35.807
where: short stacking energy: -26.751
Base-Backbone interact. energy: -0.026
local terms energy: -51.766201
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -2.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -89.196061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.196061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.196061 (E_RNA)
where:
Base-Base interactions energy: -32.960
where: short stacking energy: -32.960
Base-Backbone interact. energy: -0.007
local terms energy: -56.228837
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -7.670
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: 6
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -77.198987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.198987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.198987 (E_RNA)
where:
Base-Base interactions energy: -31.954
where: short stacking energy: -25.321
Base-Backbone interact. energy: 0.330
local terms energy: -45.575084
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -8.285
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: -2.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -76.185657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.185657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.185657 (E_RNA)
where:
Base-Base interactions energy: -32.291
where: short stacking energy: -21.379
Base-Backbone interact. energy: 0.403
local terms energy: -44.297403
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -8.171
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: 0.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -218.180245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.180245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.180245 (E_RNA)
where:
Base-Base interactions energy: -152.132
where: short stacking energy: -67.454
Base-Backbone interact. energy: -0.010
local terms energy: -66.037973
where:
bonds (distance) C4'-P energy: -8.715
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -17.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -226.125416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.125416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.125416 (E_RNA)
where:
Base-Base interactions energy: -154.138
where: short stacking energy: -71.726
Base-Backbone interact. energy: 0.284
local terms energy: -72.270895
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -21.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -208.055035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.055035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.055035 (E_RNA)
where:
Base-Base interactions energy: -138.774
where: short stacking energy: -62.481
Base-Backbone interact. energy: 1.115
local terms energy: -70.396462
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -9.975
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -18.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -213.585608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.585608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.585608 (E_RNA)
where:
Base-Base interactions energy: -135.725
where: short stacking energy: -59.759
Base-Backbone interact. energy: -0.125
local terms energy: -77.735039
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -18.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -186.557772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.557772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.557772 (E_RNA)
where:
Base-Base interactions energy: -121.040
where: short stacking energy: -63.135
Base-Backbone interact. energy: -0.094
local terms energy: -65.423262
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -10.226
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -18.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -107.383167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.383167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.383167 (E_RNA)
where:
Base-Base interactions energy: -52.957
where: short stacking energy: -37.717
Base-Backbone interact. energy: -0.103
local terms energy: -54.323147
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -5.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -84.098343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.098343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.098343 (E_RNA)
where:
Base-Base interactions energy: -27.299
where: short stacking energy: -23.818
Base-Backbone interact. energy: -0.119
local terms energy: -56.679995
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -4.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -89.223248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.223248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.223248 (E_RNA)
where:
Base-Base interactions energy: -35.540
where: short stacking energy: -19.362
Base-Backbone interact. energy: 0.012
local terms energy: -53.695218
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -2.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -81.704926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.704926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.704926 (E_RNA)
where:
Base-Base interactions energy: -31.952
where: short stacking energy: -23.472
Base-Backbone interact. energy: -1.198
local terms energy: -48.554912
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -9.419
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -0.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -74.739073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.739073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.739073 (E_RNA)
where:
Base-Base interactions energy: -34.216
where: short stacking energy: -31.859
Base-Backbone interact. energy: 0.027
local terms energy: -40.550777
where:
bonds (distance) C4'-P energy: -5.939
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -6.479
tors. eta vs tors. theta energy: -4.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -225.909120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.909120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.909120 (E_RNA)
where:
Base-Base interactions energy: -152.949
where: short stacking energy: -60.834
Base-Backbone interact. energy: -0.002
local terms energy: -72.958387
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -16.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -224.642312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.642312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.642312 (E_RNA)
where:
Base-Base interactions energy: -147.597
where: short stacking energy: -72.128
Base-Backbone interact. energy: -0.004
local terms energy: -77.041431
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -21.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -203.976341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.976341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.976341 (E_RNA)
where:
Base-Base interactions energy: -131.334
where: short stacking energy: -59.050
Base-Backbone interact. energy: -0.806
local terms energy: -71.836027
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -17.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -219.309436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.309436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.309436 (E_RNA)
where:
Base-Base interactions energy: -147.822
where: short stacking energy: -69.989
Base-Backbone interact. energy: 0.171
local terms energy: -71.658555
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -18.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -180.899546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.899546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.899546 (E_RNA)
where:
Base-Base interactions energy: -121.714
where: short stacking energy: -55.458
Base-Backbone interact. energy: -0.213
local terms energy: -58.972525
where:
bonds (distance) C4'-P energy: -10.321
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: -14.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -136.572358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.572358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.572358 (E_RNA)
where:
Base-Base interactions energy: -83.488
where: short stacking energy: -47.307
Base-Backbone interact. energy: -0.691
local terms energy: -52.394187
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -9.496
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -8.859
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: 7, replica: 8
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -87.196200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.196200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.196200 (E_RNA)
where:
Base-Base interactions energy: -36.858
where: short stacking energy: -36.061
Base-Backbone interact. energy: -0.102
local terms energy: -50.236155
where:
bonds (distance) C4'-P energy: -9.520
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -3.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -89.611243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.611243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.611243 (E_RNA)
where:
Base-Base interactions energy: -46.355
where: short stacking energy: -33.826
Base-Backbone interact. energy: -0.206
local terms energy: -43.050522
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -9.477
flat angles C4'-P-C4' energy: -8.133
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -4.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -78.353330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.353330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.353330 (E_RNA)
where:
Base-Base interactions energy: -31.947
where: short stacking energy: -23.508
Base-Backbone interact. energy: -0.409
local terms energy: -45.996756
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -9.807
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: 1.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -76.229682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.229682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.229682 (E_RNA)
where:
Base-Base interactions energy: -29.664
where: short stacking energy: -22.657
Base-Backbone interact. energy: -0.193
local terms energy: -46.373481
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -9.614
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -1.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -224.113320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.113320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.113320 (E_RNA)
where:
Base-Base interactions energy: -150.117
where: short stacking energy: -67.904
Base-Backbone interact. energy: -0.029
local terms energy: -73.967802
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -18.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -214.676636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.676636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.676636 (E_RNA)
where:
Base-Base interactions energy: -140.432
where: short stacking energy: -67.062
Base-Backbone interact. energy: -0.032
local terms energy: -74.212113
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -19.489
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: 2
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -214.792868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.792868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.792868 (E_RNA)
where:
Base-Base interactions energy: -144.447
where: short stacking energy: -63.039
Base-Backbone interact. energy: -0.321
local terms energy: -70.025630
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -14.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -206.938595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.938595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.938595 (E_RNA)
where:
Base-Base interactions energy: -134.073
where: short stacking energy: -56.340
Base-Backbone interact. energy: -0.003
local terms energy: -72.862377
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -18.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -198.145802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.145802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.145802 (E_RNA)
where:
Base-Base interactions energy: -134.629
where: short stacking energy: -57.647
Base-Backbone interact. energy: -0.075
local terms energy: -63.441897
where:
bonds (distance) C4'-P energy: -9.544
bonds (distance) P-C4' energy: -12.231
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -16.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -167.914163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.914163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.914163 (E_RNA)
where:
Base-Base interactions energy: -111.546
where: short stacking energy: -44.927
Base-Backbone interact. energy: -0.120
local terms energy: -56.248900
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: -10.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -96.754357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.754357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.754357 (E_RNA)
where:
Base-Base interactions energy: -39.344
where: short stacking energy: -36.098
Base-Backbone interact. energy: -0.160
local terms energy: -57.250949
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -7.419
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: 9
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -89.725829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.725829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.725829 (E_RNA)
where:
Base-Base interactions energy: -39.512
where: short stacking energy: -15.309
Base-Backbone interact. energy: -0.276
local terms energy: -49.937460
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -4.976
tors. eta vs tors. theta energy: -4.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -78.031395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.031395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.031395 (E_RNA)
where:
Base-Base interactions energy: -34.657
where: short stacking energy: -34.459
Base-Backbone interact. energy: -0.184
local terms energy: -43.189884
where:
bonds (distance) C4'-P energy: -7.569
bonds (distance) P-C4' energy: -14.820
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -5.363
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: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -73.539988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.539988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.539988 (E_RNA)
where:
Base-Base interactions energy: -28.335
where: short stacking energy: -13.770
Base-Backbone interact. energy: -0.124
local terms energy: -45.080959
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -9.692
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: 1.125
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: 1, replica: 10
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -227.387761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.387761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.387761 (E_RNA)
where:
Base-Base interactions energy: -150.376
where: short stacking energy: -66.953
Base-Backbone interact. energy: -0.002
local terms energy: -77.009059
where:
bonds (distance) C4'-P energy: -12.030
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -20.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -222.127400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.127400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.127400 (E_RNA)
where:
Base-Base interactions energy: -144.140
where: short stacking energy: -69.799
Base-Backbone interact. energy: -0.001
local terms energy: -77.986934
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -18.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -225.589607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.589607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.589607 (E_RNA)
where:
Base-Base interactions energy: -151.616
where: short stacking energy: -62.549
Base-Backbone interact. energy: -0.141
local terms energy: -73.832131
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -20.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -205.306366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.306366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.306366 (E_RNA)
where:
Base-Base interactions energy: -136.776
where: short stacking energy: -52.996
Base-Backbone interact. energy: -0.018
local terms energy: -68.512002
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -16.562
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: 3
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -203.680448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.680448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.680448 (E_RNA)
where:
Base-Base interactions energy: -130.717
where: short stacking energy: -66.117
Base-Backbone interact. energy: -0.015
local terms energy: -72.948870
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -18.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -173.336783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.336783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.336783 (E_RNA)
where:
Base-Base interactions energy: -111.743
where: short stacking energy: -50.615
Base-Backbone interact. energy: -0.130
local terms energy: -61.463315
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -9.158
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: 8
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -92.058618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.058618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.058618 (E_RNA)
where:
Base-Base interactions energy: -41.924
where: short stacking energy: -24.718
Base-Backbone interact. energy: 1.085
local terms energy: -51.219203
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -8.474
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: 8, replica: 9
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -82.826818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.826818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.826818 (E_RNA)
where:
Base-Base interactions energy: -31.713
where: short stacking energy: -31.713
Base-Backbone interact. energy: -0.020
local terms energy: -51.094684
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -3.506
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: 1
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -83.228370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.228370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.228370 (E_RNA)
where:
Base-Base interactions energy: -34.303
where: short stacking energy: -23.161
Base-Backbone interact. energy: -0.440
local terms energy: -48.485612
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -2.295
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -7.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -74.382467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.382467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.382467 (E_RNA)
where:
Base-Base interactions energy: -30.188
where: short stacking energy: -18.907
Base-Backbone interact. energy: -0.056
local terms energy: -44.138049
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -4.550
tors. eta vs tors. theta energy: -1.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -228.176408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.176408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.176408 (E_RNA)
where:
Base-Base interactions energy: -151.973
where: short stacking energy: -70.611
Base-Backbone interact. energy: -0.385
local terms energy: -75.818670
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -20.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -223.006748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.006748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.006748 (E_RNA)
where:
Base-Base interactions energy: -143.087
where: short stacking energy: -72.928
Base-Backbone interact. energy: -0.019
local terms energy: -79.900248
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -21.685
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: 5
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -217.888682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.888682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.888682 (E_RNA)
where:
Base-Base interactions energy: -144.206
where: short stacking energy: -65.864
Base-Backbone interact. energy: -1.127
local terms energy: -72.555422
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -19.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -196.729457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.729457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.729457 (E_RNA)
where:
Base-Base interactions energy: -131.788
where: short stacking energy: -55.772
Base-Backbone interact. energy: -0.017
local terms energy: -64.923972
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -16.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -180.555255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.555255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.555255 (E_RNA)
where:
Base-Base interactions energy: -113.929
where: short stacking energy: -51.631
Base-Backbone interact. energy: -0.020
local terms energy: -66.606707
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -17.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -187.612236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.612236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.612236 (E_RNA)
where:
Base-Base interactions energy: -130.268
where: short stacking energy: -61.019
Base-Backbone interact. energy: -0.018
local terms energy: -57.326475
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -11.107
flat angles C4'-P-C4' energy: -8.568
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -12.097
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: 9
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -93.254374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.254374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.254374 (E_RNA)
where:
Base-Base interactions energy: -33.543
where: short stacking energy: -33.543
Base-Backbone interact. energy: -0.098
local terms energy: -59.613098
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -8.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -86.752834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.752834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.752834 (E_RNA)
where:
Base-Base interactions energy: -32.167
where: short stacking energy: -29.004
Base-Backbone interact. energy: -0.014
local terms energy: -54.572581
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -3.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -89.818365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.818365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.818365 (E_RNA)
where:
Base-Base interactions energy: -40.336
where: short stacking energy: -34.199
Base-Backbone interact. energy: -0.092
local terms energy: -49.390670
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -11.420
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -6.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -75.521236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.521236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.521236 (E_RNA)
where:
Base-Base interactions energy: -28.318
where: short stacking energy: -22.830
Base-Backbone interact. energy: -0.526
local terms energy: -46.676761
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -7.931
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: 501
Temperature: 0.900000
Total energy: -223.964795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.964795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.964795 (E_RNA)
where:
Base-Base interactions energy: -146.417
where: short stacking energy: -66.086
Base-Backbone interact. energy: -0.594
local terms energy: -76.953748
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -22.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -216.831737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.831737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.831737 (E_RNA)
where:
Base-Base interactions energy: -142.830
where: short stacking energy: -75.931
Base-Backbone interact. energy: -0.045
local terms energy: -73.956629
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -21.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -197.885069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.885069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.885069 (E_RNA)
where:
Base-Base interactions energy: -123.820
where: short stacking energy: -61.345
Base-Backbone interact. energy: -0.088
local terms energy: -73.977908
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -19.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -187.394321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.394321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.394321 (E_RNA)
where:
Base-Base interactions energy: -121.476
where: short stacking energy: -53.392
Base-Backbone interact. energy: -0.203
local terms energy: -65.715231
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -15.443
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -14.900
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: 7
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -201.493402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.493402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.493402 (E_RNA)
where:
Base-Base interactions energy: -131.092
where: short stacking energy: -66.468
Base-Backbone interact. energy: -0.142
local terms energy: -70.258714
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -8.704
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -13.708
tors. eta vs tors. theta energy: -20.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -173.559002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.559002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.559002 (E_RNA)
where:
Base-Base interactions energy: -107.960
where: short stacking energy: -44.693
Base-Backbone interact. energy: -0.082
local terms energy: -65.516653
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -11.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -95.501763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.501763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.501763 (E_RNA)
where:
Base-Base interactions energy: -41.910
where: short stacking energy: -30.665
Base-Backbone interact. energy: 0.162
local terms energy: -53.753897
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -2.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -85.067821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.067821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.067821 (E_RNA)
where:
Base-Base interactions energy: -29.478
where: short stacking energy: -27.268
Base-Backbone interact. energy: -0.284
local terms energy: -55.306241
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -2.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -77.923712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.923712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.923712 (E_RNA)
where:
Base-Base interactions energy: -26.275
where: short stacking energy: -23.935
Base-Backbone interact. energy: -0.012
local terms energy: -51.637065
where:
bonds (distance) C4'-P energy: -8.536
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -2.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -66.640024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.640024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.640024 (E_RNA)
where:
Base-Base interactions energy: -25.926
where: short stacking energy: -24.805
Base-Backbone interact. energy: 0.917
local terms energy: -41.631052
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -10.067
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -1.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 10 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 21768113
moves confirmed later: 26242310
all moves confirmed: 48010423
percent of confirmed moves: 6.001303
current total energy: -189.833025
recalc. total energy: -189.833025
replica 2 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 13638934
moves confirmed later: 15397641
all moves confirmed: 29036575
percent of confirmed moves: 3.629572
current total energy: -185.511043
recalc. total energy: -185.511043
replica 5 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 11752316
moves confirmed later: 12909286
all moves confirmed: 24661602
percent of confirmed moves: 3.082700
current total energy: -177.938471
recalc. total energy: -177.938471
replica 4 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 12766068
moves confirmed later: 14231652
all moves confirmed: 26997720
percent of confirmed moves: 3.374715
current total energy: -151.645961
recalc. total energy: -151.645961
replica 3 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 12129996
moves confirmed later: 13388410
all moves confirmed: 25518406
percent of confirmed moves: 3.189801
current total energy: -157.976843
recalc. total energy: -157.976843
replica 7 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 17084137
moves confirmed later: 20000053
all moves confirmed: 37084190
percent of confirmed moves: 4.635524
current total energy: -145.371303
recalc. total energy: -145.371303
replica 9 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 25621438
moves confirmed later: 31373431
all moves confirmed: 56994869
percent of confirmed moves: 7.124359
current total energy: -44.532413
recalc. total energy: -44.532413
replica 1 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 22776273
moves confirmed later: 27532982
all moves confirmed: 50309255
percent of confirmed moves: 6.288657
current total energy: -20.945749
recalc. total energy: -20.945749
replica 8 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 25044080
moves confirmed later: 30612628
all moves confirmed: 55656708
percent of confirmed moves: 6.957089
current total energy: -41.653213
recalc. total energy: -41.653213
replica 6 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 19805889
moves confirmed later: 23604279
all moves confirmed: 43410168
percent of confirmed moves: 5.426271
current total energy: -25.580560
recalc. total energy: -25.580560
out arg RESULTS//1/43-VP1-2f42bf89_01
Time of doing 8000000 iterations: 2508.033 seconds