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/Kfdv-7ce465b4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Kfdv-7ce465b4/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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/Kfdv-7ce465b4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Kfdv-7ce465b4/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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/Kfdv-7ce465b4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Kfdv-7ce465b4/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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/Kfdv-7ce465b4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Kfdv-7ce465b4/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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/Kfdv-7ce465b4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Kfdv-7ce465b4/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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/Kfdv-7ce465b4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Kfdv-7ce465b4/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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/Kfdv-7ce465b4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Kfdv-7ce465b4/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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/Kfdv-7ce465b4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Kfdv-7ce465b4/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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/Kfdv-7ce465b4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Kfdv-7ce465b4/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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/Kfdv-7ce465b4/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Kfdv-7ce465b4/inputs/seq.fa: 1
curr_seq: _UGGUGAGAGUAGUCCGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGAGUAGUCCGGAUCC
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: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
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: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
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: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
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: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
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: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
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: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
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: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
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: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
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: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
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: -79.882829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.882829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.882829 (E_RNA)
where:
Base-Base interactions energy: -1.700
where: short stacking energy: -1.700
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: -128.469445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.469445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.469445 (E_RNA)
where:
Base-Base interactions energy: -61.023
where: short stacking energy: -61.023
Base-Backbone interact. energy: -0.001
local terms energy: -67.445882
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -10.938
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: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -147.160467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.160467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.160467 (E_RNA)
where:
Base-Base interactions energy: -74.728
where: short stacking energy: -50.292
Base-Backbone interact. energy: -0.776
local terms energy: -71.656421
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -11.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -126.826824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.826824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.826824 (E_RNA)
where:
Base-Base interactions energy: -58.670
where: short stacking energy: -58.538
Base-Backbone interact. energy: -0.004
local terms energy: -68.152817
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -9.887
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -118.601322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.601322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.601322 (E_RNA)
where:
Base-Base interactions energy: -64.126
where: short stacking energy: -34.661
Base-Backbone interact. energy: -1.651
local terms energy: -52.824662
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -8.982
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -5.278
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -102.356001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.356001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.356001 (E_RNA)
where:
Base-Base interactions energy: -45.141
where: short stacking energy: -45.141
Base-Backbone interact. energy: -0.096
local terms energy: -57.119263
where:
bonds (distance) C4'-P energy: -9.073
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -9.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -144.652197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.652197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.652197 (E_RNA)
where:
Base-Base interactions energy: -88.484
where: short stacking energy: -44.315
Base-Backbone interact. energy: -0.059
local terms energy: -56.109417
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -9.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -91.173232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.173232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.173232 (E_RNA)
where:
Base-Base interactions energy: -31.395
where: short stacking energy: -31.249
Base-Backbone interact. energy: 1.287
local terms energy: -61.065416
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -10.430
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: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -78.800125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.800125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.800125 (E_RNA)
where:
Base-Base interactions energy: -1.733
where: short stacking energy: -1.733
Base-Backbone interact. energy: -0.000
local terms energy: -77.067151
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -78.800116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.800116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.800116 (E_RNA)
where:
Base-Base interactions energy: -1.733
where: short stacking energy: -1.733
Base-Backbone interact. energy: -0.000
local terms energy: -77.067151
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -4.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -78.882317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.882317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.882317 (E_RNA)
where:
Base-Base interactions energy: -32.218
where: short stacking energy: -32.218
Base-Backbone interact. energy: -0.192
local terms energy: -46.473159
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -10.976
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: -1.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -126.800066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.800066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.800066 (E_RNA)
where:
Base-Base interactions energy: -59.094
where: short stacking energy: -59.094
Base-Backbone interact. energy: -0.097
local terms energy: -67.609527
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -11.698
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: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -162.212926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.212926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.212926 (E_RNA)
where:
Base-Base interactions energy: -96.778
where: short stacking energy: -60.150
Base-Backbone interact. energy: -0.045
local terms energy: -65.389644
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -13.991
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: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -122.229726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.229726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.229726 (E_RNA)
where:
Base-Base interactions energy: -59.622
where: short stacking energy: -49.217
Base-Backbone interact. energy: -0.047
local terms energy: -62.561139
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -11.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -119.433021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.433021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.433021 (E_RNA)
where:
Base-Base interactions energy: -62.072
where: short stacking energy: -34.958
Base-Backbone interact. energy: -0.488
local terms energy: -56.872974
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -3.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -124.342844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.342844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.342844 (E_RNA)
where:
Base-Base interactions energy: -70.118
where: short stacking energy: -31.972
Base-Backbone interact. energy: -0.180
local terms energy: -54.045503
where:
bonds (distance) C4'-P energy: -12.068
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -3.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -160.212680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.212680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.212680 (E_RNA)
where:
Base-Base interactions energy: -98.397
where: short stacking energy: -47.116
Base-Backbone interact. energy: -0.016
local terms energy: -61.799431
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -9.242
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -16.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -96.846727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.846727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.846727 (E_RNA)
where:
Base-Base interactions energy: -40.113
where: short stacking energy: -35.000
Base-Backbone interact. energy: -0.101
local terms energy: -56.632894
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -10.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -97.988563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.988563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.988563 (E_RNA)
where:
Base-Base interactions energy: -42.694
where: short stacking energy: -35.783
Base-Backbone interact. energy: -0.242
local terms energy: -55.052911
where:
bonds (distance) C4'-P energy: -10.261
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -10.374
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -7.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -88.331963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.331963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.331963 (E_RNA)
where:
Base-Base interactions energy: -41.371
where: short stacking energy: -29.770
Base-Backbone interact. energy: -0.113
local terms energy: -46.848532
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -11.033
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -6.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -92.762339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.762339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.762339 (E_RNA)
where:
Base-Base interactions energy: -35.976
where: short stacking energy: -32.977
Base-Backbone interact. energy: -0.006
local terms energy: -56.779793
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -8.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -181.409542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.409542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.409542 (E_RNA)
where:
Base-Base interactions energy: -111.146
where: short stacking energy: -56.582
Base-Backbone interact. energy: -0.080
local terms energy: -70.183209
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -11.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -133.712759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.712759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.712759 (E_RNA)
where:
Base-Base interactions energy: -68.946
where: short stacking energy: -48.390
Base-Backbone interact. energy: -0.517
local terms energy: -64.250196
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -12.860
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: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -110.651601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.651601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.651601 (E_RNA)
where:
Base-Base interactions energy: -46.887
where: short stacking energy: -41.028
Base-Backbone interact. energy: -0.152
local terms energy: -63.612942
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -8.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -121.299118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.299118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.299118 (E_RNA)
where:
Base-Base interactions energy: -52.323
where: short stacking energy: -52.323
Base-Backbone interact. energy: -0.058
local terms energy: -68.917993
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -13.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -155.516516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.516516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.516516 (E_RNA)
where:
Base-Base interactions energy: -90.622
where: short stacking energy: -47.678
Base-Backbone interact. energy: -0.076
local terms energy: -64.818478
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -6.669
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: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -115.070457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.070457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.070457 (E_RNA)
where:
Base-Base interactions energy: -64.260
where: short stacking energy: -36.774
Base-Backbone interact. energy: -0.265
local terms energy: -50.545512
where:
bonds (distance) C4'-P energy: -11.128
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: -4.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -99.001074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.001074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.001074 (E_RNA)
where:
Base-Base interactions energy: -44.585
where: short stacking energy: -24.928
Base-Backbone interact. energy: -0.894
local terms energy: -53.522677
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -10.866
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -2.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -87.414151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.414151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.414151 (E_RNA)
where:
Base-Base interactions energy: -35.462
where: short stacking energy: -15.817
Base-Backbone interact. energy: -0.693
local terms energy: -51.258416
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -3.564
tors. eta vs tors. theta energy: -0.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -88.244855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.244855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.244855 (E_RNA)
where:
Base-Base interactions energy: -39.110
where: short stacking energy: -26.954
Base-Backbone interact. energy: -0.045
local terms energy: -49.089985
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -10.027
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -2.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -71.976243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.976243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.976243 (E_RNA)
where:
Base-Base interactions energy: -27.083
where: short stacking energy: -27.083
Base-Backbone interact. energy: -0.406
local terms energy: -44.487506
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -11.089
flat angles P-C4'-P energy: -9.545
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: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -185.297343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.297343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.297343 (E_RNA)
where:
Base-Base interactions energy: -105.377
where: short stacking energy: -61.102
Base-Backbone interact. energy: -1.194
local terms energy: -78.727090
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -20.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -138.067016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.067016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.067016 (E_RNA)
where:
Base-Base interactions energy: -60.325
where: short stacking energy: -57.621
Base-Backbone interact. energy: -0.045
local terms energy: -77.696980
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -18.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -134.434679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.434679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.434679 (E_RNA)
where:
Base-Base interactions energy: -71.195
where: short stacking energy: -50.120
Base-Backbone interact. energy: -0.285
local terms energy: -62.954380
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -13.366
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: 6
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -159.153646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.153646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.153646 (E_RNA)
where:
Base-Base interactions energy: -94.647
where: short stacking energy: -57.648
Base-Backbone interact. energy: -0.002
local terms energy: -64.503855
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -13.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -110.756033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.756033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.756033 (E_RNA)
where:
Base-Base interactions energy: -44.861
where: short stacking energy: -40.372
Base-Backbone interact. energy: -0.026
local terms energy: -65.868621
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -5.961
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: 6, replica: 4
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -96.968049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.968049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.968049 (E_RNA)
where:
Base-Base interactions energy: -38.641
where: short stacking energy: -28.643
Base-Backbone interact. energy: -0.127
local terms energy: -58.200249
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -8.695
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: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -107.973780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.973780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.973780 (E_RNA)
where:
Base-Base interactions energy: -42.199
where: short stacking energy: -38.727
Base-Backbone interact. energy: -0.253
local terms energy: -65.521676
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -12.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -88.123678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.123678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.123678 (E_RNA)
where:
Base-Base interactions energy: -36.281
where: short stacking energy: -36.281
Base-Backbone interact. energy: -0.104
local terms energy: -51.738500
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -8.870
flat angles C4'-P-C4' energy: -11.120
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -8.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -86.848694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.848694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.848694 (E_RNA)
where:
Base-Base interactions energy: -34.869
where: short stacking energy: -26.501
Base-Backbone interact. energy: -0.131
local terms energy: -51.848833
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -6.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -72.469481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.469481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.469481 (E_RNA)
where:
Base-Base interactions energy: -27.796
where: short stacking energy: -26.906
Base-Backbone interact. energy: -0.124
local terms energy: -44.550169
where:
bonds (distance) C4'-P energy: -8.240
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -8.283
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: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -161.595004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.595004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.595004 (E_RNA)
where:
Base-Base interactions energy: -89.466
where: short stacking energy: -58.702
Base-Backbone interact. energy: -0.343
local terms energy: -71.785734
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -11.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -145.084397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.084397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.084397 (E_RNA)
where:
Base-Base interactions energy: -80.757
where: short stacking energy: -44.952
Base-Backbone interact. energy: -0.985
local terms energy: -63.342364
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -6.630
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: 3, replica: 6
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -172.926717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.926717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.926717 (E_RNA)
where:
Base-Base interactions energy: -109.565
where: short stacking energy: -58.347
Base-Backbone interact. energy: -0.135
local terms energy: -63.226935
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -10.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -147.449199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.449199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.449199 (E_RNA)
where:
Base-Base interactions energy: -83.700
where: short stacking energy: -48.548
Base-Backbone interact. energy: -0.336
local terms energy: -63.413160
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -15.211
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -8.792
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: 6
Temperature: 1.100000
Total energy: -113.830424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.830424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.830424 (E_RNA)
where:
Base-Base interactions energy: -52.829
where: short stacking energy: -51.128
Base-Backbone interact. energy: -0.238
local terms energy: -60.764189
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -12.357
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -7.212
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: 6, replica: 3
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -109.923453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.923453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.923453 (E_RNA)
where:
Base-Base interactions energy: -49.013
where: short stacking energy: -31.827
Base-Backbone interact. energy: 0.302
local terms energy: -61.212402
where:
bonds (distance) C4'-P energy: -17.787
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -7.834
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: 7, replica: 9
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -115.469896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.469896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.469896 (E_RNA)
where:
Base-Base interactions energy: -56.002
where: short stacking energy: -38.972
Base-Backbone interact. energy: -0.006
local terms energy: -59.461520
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -14.341
tors. eta vs tors. theta energy: -9.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -88.779349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.779349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.779349 (E_RNA)
where:
Base-Base interactions energy: -31.750
where: short stacking energy: -26.889
Base-Backbone interact. energy: -0.126
local terms energy: -56.903569
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -3.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -90.330802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.330802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.330802 (E_RNA)
where:
Base-Base interactions energy: -40.672
where: short stacking energy: -31.280
Base-Backbone interact. energy: -0.184
local terms energy: -49.474421
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -3.993
tors. eta vs tors. theta energy: -6.934
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: 10, replica: 8
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -72.861033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.861033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.861033 (E_RNA)
where:
Base-Base interactions energy: -24.917
where: short stacking energy: -21.054
Base-Backbone interact. energy: -0.628
local terms energy: -47.315373
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -13.354
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: 0.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -178.001243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.001243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.001243 (E_RNA)
where:
Base-Base interactions energy: -101.163
where: short stacking energy: -65.798
Base-Backbone interact. energy: -0.193
local terms energy: -76.645203
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -15.393
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: 6
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -166.293380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.293380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.293380 (E_RNA)
where:
Base-Base interactions energy: -94.726
where: short stacking energy: -53.709
Base-Backbone interact. energy: -0.565
local terms energy: -71.003017
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -15.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -150.651358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.651358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.651358 (E_RNA)
where:
Base-Base interactions energy: -103.046
where: short stacking energy: -30.098
Base-Backbone interact. energy: -1.383
local terms energy: -46.222924
where:
bonds (distance) C4'-P energy: -10.049
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: 1.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -136.453406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.453406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.453406 (E_RNA)
where:
Base-Base interactions energy: -68.808
where: short stacking energy: -43.572
Base-Backbone interact. energy: -0.166
local terms energy: -67.479547
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -13.068
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: 4
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -153.876156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.876156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.876156 (E_RNA)
where:
Base-Base interactions energy: -86.159
where: short stacking energy: -51.853
Base-Backbone interact. energy: -0.069
local terms energy: -67.648091
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -13.212
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: 6, replica: 9
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -86.157153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.157153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.157153 (E_RNA)
where:
Base-Base interactions energy: -25.329
where: short stacking energy: -25.329
Base-Backbone interact. energy: -0.089
local terms energy: -60.739138
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -5.433
tors. eta vs tors. theta energy: -6.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -86.739548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.739548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.739548 (E_RNA)
where:
Base-Base interactions energy: -27.477
where: short stacking energy: -27.477
Base-Backbone interact. energy: -0.720
local terms energy: -58.541965
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -8.093
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: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -91.938022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.938022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.938022 (E_RNA)
where:
Base-Base interactions energy: -43.419
where: short stacking energy: -34.098
Base-Backbone interact. energy: -0.083
local terms energy: -48.436402
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -3.096
tors. eta vs tors. theta energy: -1.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -78.259525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.259525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.259525 (E_RNA)
where:
Base-Base interactions energy: -36.752
where: short stacking energy: -31.856
Base-Backbone interact. energy: -0.155
local terms energy: -41.352359
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -11.060
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -1.887
tors. eta vs tors. theta energy: -0.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -77.373132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.373132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.373132 (E_RNA)
where:
Base-Base interactions energy: -29.382
where: short stacking energy: -28.313
Base-Backbone interact. energy: -0.110
local terms energy: -47.881346
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -10.554
flat angles C4'-P-C4' energy: -10.249
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -5.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -172.937746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.937746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.937746 (E_RNA)
where:
Base-Base interactions energy: -106.647
where: short stacking energy: -58.512
Base-Backbone interact. energy: -0.256
local terms energy: -66.035338
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -12.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -169.930137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.930137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.930137 (E_RNA)
where:
Base-Base interactions energy: -97.083
where: short stacking energy: -63.495
Base-Backbone interact. energy: -0.990
local terms energy: -71.856753
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -19.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -154.356298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.356298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.356298 (E_RNA)
where:
Base-Base interactions energy: -87.654
where: short stacking energy: -39.708
Base-Backbone interact. energy: -0.111
local terms energy: -66.590589
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -10.195
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: 4, replica: 1
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -121.353100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.353100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.353100 (E_RNA)
where:
Base-Base interactions energy: -53.068
where: short stacking energy: -53.068
Base-Backbone interact. energy: -0.071
local terms energy: -68.214748
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -14.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -103.228676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.228676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.228676 (E_RNA)
where:
Base-Base interactions energy: -39.336
where: short stacking energy: -35.307
Base-Backbone interact. energy: -0.020
local terms energy: -63.873253
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -10.651
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: 4
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -155.655613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.655613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.655613 (E_RNA)
where:
Base-Base interactions energy: -94.365
where: short stacking energy: -45.879
Base-Backbone interact. energy: -0.098
local terms energy: -61.192363
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -12.897
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -5.632
tors. eta vs tors. theta energy: -12.804
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: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -98.440395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.440395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.440395 (E_RNA)
where:
Base-Base interactions energy: -49.372
where: short stacking energy: -35.232
Base-Backbone interact. energy: -0.437
local terms energy: -48.631196
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -6.030
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: 8, replica: 3
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -85.746593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.746593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.746593 (E_RNA)
where:
Base-Base interactions energy: -29.777
where: short stacking energy: -29.777
Base-Backbone interact. energy: -0.164
local terms energy: -55.805708
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -2.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -78.876816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.876816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.876816 (E_RNA)
where:
Base-Base interactions energy: -30.031
where: short stacking energy: -27.981
Base-Backbone interact. energy: 0.554
local terms energy: -49.399672
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -6.202
tors. eta vs tors. theta energy: -0.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -82.869737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.869737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.869737 (E_RNA)
where:
Base-Base interactions energy: -32.122
where: short stacking energy: -30.210
Base-Backbone interact. energy: -0.014
local terms energy: -50.733817
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -5.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -180.617192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.617192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.617192 (E_RNA)
where:
Base-Base interactions energy: -103.044
where: short stacking energy: -59.748
Base-Backbone interact. energy: -0.190
local terms energy: -77.383097
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -19.360
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -11.161
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: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -180.831142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.831142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.831142 (E_RNA)
where:
Base-Base interactions energy: -118.665
where: short stacking energy: -51.395
Base-Backbone interact. energy: -0.547
local terms energy: -61.619287
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -8.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -182.891267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.891267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.891267 (E_RNA)
where:
Base-Base interactions energy: -117.659
where: short stacking energy: -57.601
Base-Backbone interact. energy: -0.721
local terms energy: -64.510492
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -9.871
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -15.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -117.206884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.206884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.206884 (E_RNA)
where:
Base-Base interactions energy: -51.339
where: short stacking energy: -40.915
Base-Backbone interact. energy: -0.847
local terms energy: -65.020991
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -11.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -116.595702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.595702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.595702 (E_RNA)
where:
Base-Base interactions energy: -52.330
where: short stacking energy: -44.220
Base-Backbone interact. energy: -0.120
local terms energy: -64.145770
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -10.730
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: 4
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -182.800085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.800085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.800085 (E_RNA)
where:
Base-Base interactions energy: -114.382
where: short stacking energy: -54.167
Base-Backbone interact. energy: -0.074
local terms energy: -68.343990
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -9.955
flat angles P-C4'-P energy: -10.377
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: 7, replica: 10
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -106.306507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.306507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.306507 (E_RNA)
where:
Base-Base interactions energy: -54.573
where: short stacking energy: -26.642
Base-Backbone interact. energy: -0.054
local terms energy: -51.679519
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -9.651
flat angles P-C4'-P energy: -9.393
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: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -90.699668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.699668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.699668 (E_RNA)
where:
Base-Base interactions energy: -31.902
where: short stacking energy: -30.464
Base-Backbone interact. energy: -0.249
local terms energy: -58.548110
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -3.440
tors. eta vs tors. theta energy: -8.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -76.901061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.901061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.901061 (E_RNA)
where:
Base-Base interactions energy: -24.417
where: short stacking energy: -23.599
Base-Backbone interact. energy: 0.112
local terms energy: -52.595546
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -1.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -80.632871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.632871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.632871 (E_RNA)
where:
Base-Base interactions energy: -38.606
where: short stacking energy: -24.311
Base-Backbone interact. energy: -0.179
local terms energy: -41.847407
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -10.128
flat angles P-C4'-P energy: -5.959
tors. eta vs tors. theta energy: -0.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -193.731663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.731663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.731663 (E_RNA)
where:
Base-Base interactions energy: -122.325
where: short stacking energy: -56.538
Base-Backbone interact. energy: -0.015
local terms energy: -71.391662
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: -10.945
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: 2, replica: 6
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -178.039073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.039073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.039073 (E_RNA)
where:
Base-Base interactions energy: -104.099
where: short stacking energy: -56.425
Base-Backbone interact. energy: -0.341
local terms energy: -73.599269
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -16.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -189.160331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.160331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.160331 (E_RNA)
where:
Base-Base interactions energy: -122.286
where: short stacking energy: -60.485
Base-Backbone interact. energy: -0.115
local terms energy: -66.759327
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -12.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -109.839087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.839087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.839087 (E_RNA)
where:
Base-Base interactions energy: -46.011
where: short stacking energy: -39.955
Base-Backbone interact. energy: -0.126
local terms energy: -63.702372
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -10.019
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: 5, replica: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -183.713985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.713985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.713985 (E_RNA)
where:
Base-Base interactions energy: -113.903
where: short stacking energy: -59.841
Base-Backbone interact. energy: -0.063
local terms energy: -69.748618
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -6.148
tors. eta vs tors. theta energy: -14.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -112.782220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.782220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.782220 (E_RNA)
where:
Base-Base interactions energy: -53.129
where: short stacking energy: -41.772
Base-Backbone interact. energy: -0.163
local terms energy: -59.490102
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -11.749
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: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -86.936199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.936199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.936199 (E_RNA)
where:
Base-Base interactions energy: -31.843
where: short stacking energy: -31.364
Base-Backbone interact. energy: -0.120
local terms energy: -54.972774
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -2.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -88.185154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.185154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.185154 (E_RNA)
where:
Base-Base interactions energy: -40.217
where: short stacking energy: -35.824
Base-Backbone interact. energy: -0.356
local terms energy: -47.612287
where:
bonds (distance) C4'-P energy: -4.834
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -7.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -83.161495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.161495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.161495 (E_RNA)
where:
Base-Base interactions energy: -33.218
where: short stacking energy: -33.218
Base-Backbone interact. energy: -0.025
local terms energy: -49.918785
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -10.274
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -0.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -89.980497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.980497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.980497 (E_RNA)
where:
Base-Base interactions energy: -41.702
where: short stacking energy: -35.522
Base-Backbone interact. energy: -0.340
local terms energy: -47.938504
where:
bonds (distance) C4'-P energy: -9.925
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -10.842
flat angles P-C4'-P energy: -4.577
tors. eta vs tors. theta energy: -7.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -177.087765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.087765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.087765 (E_RNA)
where:
Base-Base interactions energy: -109.386
where: short stacking energy: -65.356
Base-Backbone interact. energy: -0.260
local terms energy: -67.441783
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -13.855
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: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -194.713824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.713824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.713824 (E_RNA)
where:
Base-Base interactions energy: -125.269
where: short stacking energy: -66.887
Base-Backbone interact. energy: 0.414
local terms energy: -69.858976
where:
bonds (distance) C4'-P energy: -9.265
bonds (distance) P-C4' energy: -17.704
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -16.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -188.244000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.244000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.244000 (E_RNA)
where:
Base-Base interactions energy: -126.713
where: short stacking energy: -57.823
Base-Backbone interact. energy: -0.044
local terms energy: -61.487713
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -11.684
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -14.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -165.033266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.033266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.033266 (E_RNA)
where:
Base-Base interactions energy: -95.659
where: short stacking energy: -55.157
Base-Backbone interact. energy: -0.102
local terms energy: -69.272158
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -14.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -108.226181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.226181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.226181 (E_RNA)
where:
Base-Base interactions energy: -46.311
where: short stacking energy: -34.267
Base-Backbone interact. energy: -0.148
local terms energy: -61.766938
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -4.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -129.025435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.025435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.025435 (E_RNA)
where:
Base-Base interactions energy: -78.600
where: short stacking energy: -38.646
Base-Backbone interact. energy: -0.232
local terms energy: -50.193414
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -9.539
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -4.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -87.226761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.226761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.226761 (E_RNA)
where:
Base-Base interactions energy: -26.206
where: short stacking energy: -26.206
Base-Backbone interact. energy: -0.417
local terms energy: -60.603873
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -18.205
flat angles P-C4'-P energy: -7.519
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: 8, replica: 3
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -89.320052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.320052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.320052 (E_RNA)
where:
Base-Base interactions energy: -37.872
where: short stacking energy: -37.406
Base-Backbone interact. energy: -0.030
local terms energy: -51.418225
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -6.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -80.127810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.127810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.127810 (E_RNA)
where:
Base-Base interactions energy: -27.729
where: short stacking energy: -23.618
Base-Backbone interact. energy: -0.011
local terms energy: -52.387921
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -4.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -77.072739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.072739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.072739 (E_RNA)
where:
Base-Base interactions energy: -25.806
where: short stacking energy: -22.776
Base-Backbone interact. energy: -0.101
local terms energy: -51.165987
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -0.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -196.759627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.759627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.759627 (E_RNA)
where:
Base-Base interactions energy: -125.959
where: short stacking energy: -54.392
Base-Backbone interact. energy: -0.094
local terms energy: -70.706670
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -13.297
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: 5
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -181.854643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.854643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.854643 (E_RNA)
where:
Base-Base interactions energy: -116.385
where: short stacking energy: -54.367
Base-Backbone interact. energy: -0.162
local terms energy: -65.307119
where:
bonds (distance) C4'-P energy: -9.966
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -13.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -174.497631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.497631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.497631 (E_RNA)
where:
Base-Base interactions energy: -100.879
where: short stacking energy: -58.204
Base-Backbone interact. energy: -0.005
local terms energy: -73.614069
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -15.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -178.454517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.454517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.454517 (E_RNA)
where:
Base-Base interactions energy: -114.876
where: short stacking energy: -56.934
Base-Backbone interact. energy: -1.118
local terms energy: -62.460347
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -6.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -131.926552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.926552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.926552 (E_RNA)
where:
Base-Base interactions energy: -68.447
where: short stacking energy: -30.552
Base-Backbone interact. energy: 0.009
local terms energy: -63.488567
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -8.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -102.204951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.204951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.204951 (E_RNA)
where:
Base-Base interactions energy: -47.331
where: short stacking energy: -27.848
Base-Backbone interact. energy: -0.215
local terms energy: -54.658987
where:
bonds (distance) C4'-P energy: -12.582
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -11.430
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -4.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -105.931290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.931290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.931290 (E_RNA)
where:
Base-Base interactions energy: -53.504
where: short stacking energy: -34.234
Base-Backbone interact. energy: -0.087
local terms energy: -52.340256
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -4.919
tors. eta vs tors. theta energy: -5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -84.926049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.926049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.926049 (E_RNA)
where:
Base-Base interactions energy: -33.369
where: short stacking energy: -26.075
Base-Backbone interact. energy: -0.057
local terms energy: -51.500282
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -2.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -80.097427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.097427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.097427 (E_RNA)
where:
Base-Base interactions energy: -29.959
where: short stacking energy: -25.295
Base-Backbone interact. energy: -0.134
local terms energy: -50.004532
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -9.036
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: -2.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -75.106142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.106142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.106142 (E_RNA)
where:
Base-Base interactions energy: -28.645
where: short stacking energy: -24.001
Base-Backbone interact. energy: -0.370
local terms energy: -46.090307
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -10.122
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -12.473
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: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -198.439646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.439646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.439646 (E_RNA)
where:
Base-Base interactions energy: -124.026
where: short stacking energy: -70.245
Base-Backbone interact. energy: -0.004
local terms energy: -74.410112
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -15.785
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: 2, replica: 4
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -186.804064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.804064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.804064 (E_RNA)
where:
Base-Base interactions energy: -112.238
where: short stacking energy: -60.006
Base-Backbone interact. energy: -0.271
local terms energy: -74.295296
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -5.752
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: 3, replica: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -161.081060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.081060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.081060 (E_RNA)
where:
Base-Base interactions energy: -97.620
where: short stacking energy: -46.534
Base-Backbone interact. energy: 0.733
local terms energy: -64.193780
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -8.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -177.950035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.950035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.950035 (E_RNA)
where:
Base-Base interactions energy: -108.220
where: short stacking energy: -49.911
Base-Backbone interact. energy: -0.110
local terms energy: -69.620854
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -14.452
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: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -115.463732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.463732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.463732 (E_RNA)
where:
Base-Base interactions energy: -63.109
where: short stacking energy: -33.620
Base-Backbone interact. energy: 1.203
local terms energy: -53.557575
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -9.567
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: 6, replica: 8
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -95.051571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.051571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.051571 (E_RNA)
where:
Base-Base interactions energy: -43.345
where: short stacking energy: -32.077
Base-Backbone interact. energy: -0.256
local terms energy: -51.450060
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -2.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -94.999667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.999667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.999667 (E_RNA)
where:
Base-Base interactions energy: -38.190
where: short stacking energy: -38.212
Base-Backbone interact. energy: -0.139
local terms energy: -56.671023
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -11.252
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -6.081
tors. eta vs tors. theta energy: -7.936
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: 7
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -109.036751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.036751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.036751 (E_RNA)
where:
Base-Base interactions energy: -44.869
where: short stacking energy: -42.873
Base-Backbone interact. energy: -0.402
local terms energy: -63.766082
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -11.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -79.735737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.735737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.735737 (E_RNA)
where:
Base-Base interactions energy: -26.668
where: short stacking energy: -22.095
Base-Backbone interact. energy: -0.051
local terms energy: -53.016751
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -2.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -77.296593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.296593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.296593 (E_RNA)
where:
Base-Base interactions energy: -34.811
where: short stacking energy: -29.397
Base-Backbone interact. energy: -0.065
local terms energy: -42.419983
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -3.262
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -0.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -194.660880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.660880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.660880 (E_RNA)
where:
Base-Base interactions energy: -119.468
where: short stacking energy: -64.744
Base-Backbone interact. energy: -0.640
local terms energy: -74.552560
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -14.565
tors. eta vs tors. theta energy: -20.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -184.035874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.035874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.035874 (E_RNA)
where:
Base-Base interactions energy: -114.397
where: short stacking energy: -70.744
Base-Backbone interact. energy: -0.001
local terms energy: -69.637406
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -5.974
tors. eta vs tors. theta energy: -19.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -195.748398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.748398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.748398 (E_RNA)
where:
Base-Base interactions energy: -120.417
where: short stacking energy: -63.140
Base-Backbone interact. energy: 0.025
local terms energy: -75.356673
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -18.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -167.273874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.273874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.273874 (E_RNA)
where:
Base-Base interactions energy: -103.111
where: short stacking energy: -50.134
Base-Backbone interact. energy: -0.108
local terms energy: -64.055539
where:
bonds (distance) C4'-P energy: -9.860
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -10.985
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: 8
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -104.969425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.969425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.969425 (E_RNA)
where:
Base-Base interactions energy: -46.898
where: short stacking energy: -42.409
Base-Backbone interact. energy: -0.226
local terms energy: -57.845395
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -5.657
tors. eta vs tors. theta energy: -6.904
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: 14
Temperature: 1.150000
Total energy: -97.790126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.790126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.790126 (E_RNA)
where:
Base-Base interactions energy: -43.474
where: short stacking energy: -40.325
Base-Backbone interact. energy: 1.593
local terms energy: -55.909638
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -5.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -95.782660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.782660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.782660 (E_RNA)
where:
Base-Base interactions energy: -35.132
where: short stacking energy: -31.879
Base-Backbone interact. energy: -0.013
local terms energy: -60.637596
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -4.599
tors. eta vs tors. theta energy: -10.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -87.487494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.487494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.487494 (E_RNA)
where:
Base-Base interactions energy: -35.357
where: short stacking energy: -23.904
Base-Backbone interact. energy: -0.011
local terms energy: -52.119609
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -0.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -93.153498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.153498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.153498 (E_RNA)
where:
Base-Base interactions energy: -34.609
where: short stacking energy: -28.072
Base-Backbone interact. energy: 0.881
local terms energy: -59.425996
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -2.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -74.124367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.124367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.124367 (E_RNA)
where:
Base-Base interactions energy: -29.005
where: short stacking energy: -18.115
Base-Backbone interact. energy: -0.150
local terms energy: -44.970064
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -11.797
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -9.728
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: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -178.401868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.401868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.401868 (E_RNA)
where:
Base-Base interactions energy: -103.366
where: short stacking energy: -53.768
Base-Backbone interact. energy: -0.057
local terms energy: -74.978837
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -16.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -195.439708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.439708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.439708 (E_RNA)
where:
Base-Base interactions energy: -114.573
where: short stacking energy: -58.181
Base-Backbone interact. energy: -0.722
local terms energy: -80.144751
where:
bonds (distance) C4'-P energy: -17.671
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -20.108
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: 6
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -194.613435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.613435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.613435 (E_RNA)
where:
Base-Base interactions energy: -120.823
where: short stacking energy: -63.320
Base-Backbone interact. energy: -1.067
local terms energy: -72.723189
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -17.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -177.178711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.178711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.178711 (E_RNA)
where:
Base-Base interactions energy: -108.954
where: short stacking energy: -58.833
Base-Backbone interact. energy: -0.027
local terms energy: -68.197990
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -7.080
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: 8
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -116.032631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.032631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.032631 (E_RNA)
where:
Base-Base interactions energy: -63.650
where: short stacking energy: -36.766
Base-Backbone interact. energy: -0.553
local terms energy: -51.829326
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -6.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -98.249180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.249180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.249180 (E_RNA)
where:
Base-Base interactions energy: -46.823
where: short stacking energy: -26.117
Base-Backbone interact. energy: 0.364
local terms energy: -51.790093
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -6.823
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: 7, replica: 7
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -91.735094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.735094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.735094 (E_RNA)
where:
Base-Base interactions energy: -46.481
where: short stacking energy: -29.617
Base-Backbone interact. energy: -0.110
local terms energy: -45.145012
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -9.665
flat angles P-C4'-P energy: -5.699
tors. eta vs tors. theta energy: -0.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -79.758049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.758049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.758049 (E_RNA)
where:
Base-Base interactions energy: -38.382
where: short stacking energy: -18.812
Base-Backbone interact. energy: -0.800
local terms energy: -40.576381
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -11.326
flat angles C4'-P-C4' energy: -12.004
flat angles P-C4'-P energy: -4.215
tors. eta vs tors. theta energy: 2.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -83.794022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.794022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.794022 (E_RNA)
where:
Base-Base interactions energy: -36.980
where: short stacking energy: -22.103
Base-Backbone interact. energy: -0.365
local terms energy: -46.448647
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -9.339
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: 1.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -72.254807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.254807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.254807 (E_RNA)
where:
Base-Base interactions energy: -33.394
where: short stacking energy: -26.729
Base-Backbone interact. energy: -0.177
local terms energy: -38.683618
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -10.748
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: 4.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -203.237203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.237203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.237203 (E_RNA)
where:
Base-Base interactions energy: -125.203
where: short stacking energy: -71.141
Base-Backbone interact. energy: -0.456
local terms energy: -77.578819
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -19.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -182.069009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.069009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.069009 (E_RNA)
where:
Base-Base interactions energy: -114.765
where: short stacking energy: -60.242
Base-Backbone interact. energy: -0.321
local terms energy: -66.982676
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -12.724
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -15.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -183.856553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.856553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.856553 (E_RNA)
where:
Base-Base interactions energy: -118.838
where: short stacking energy: -60.753
Base-Backbone interact. energy: -0.910
local terms energy: -64.108819
where:
bonds (distance) C4'-P energy: -10.387
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -5.570
tors. eta vs tors. theta energy: -18.072
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: 16
Temperature: 1.050000
Total energy: -179.695475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.695475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.695475 (E_RNA)
where:
Base-Base interactions energy: -109.001
where: short stacking energy: -56.178
Base-Backbone interact. energy: -0.114
local terms energy: -70.579946
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -12.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -121.625891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.625891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.625891 (E_RNA)
where:
Base-Base interactions energy: -55.902
where: short stacking energy: -55.902
Base-Backbone interact. energy: -0.226
local terms energy: -65.497618
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -8.381
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: 6, replica: 1
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -118.192216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.192216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.192216 (E_RNA)
where:
Base-Base interactions energy: -65.714
where: short stacking energy: -20.196
Base-Backbone interact. energy: -0.252
local terms energy: -52.226949
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -10.708
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -10.653
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: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -90.951268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.951268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.951268 (E_RNA)
where:
Base-Base interactions energy: -38.503
where: short stacking energy: -17.896
Base-Backbone interact. energy: -0.531
local terms energy: -51.917351
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -3.904
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: 7
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -83.158034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.158034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.158034 (E_RNA)
where:
Base-Base interactions energy: -33.203
where: short stacking energy: -32.586
Base-Backbone interact. energy: -0.538
local terms energy: -49.417263
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -12.164
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: 0.064
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: 9, replica: 3
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -82.763355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.763355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.763355 (E_RNA)
where:
Base-Base interactions energy: -33.651
where: short stacking energy: -33.651
Base-Backbone interact. energy: -0.087
local terms energy: -49.024537
where:
bonds (distance) C4'-P energy: -7.966
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -8.821
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: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -94.217065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.217065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.217065 (E_RNA)
where:
Base-Base interactions energy: -43.111
where: short stacking energy: -20.897
Base-Backbone interact. energy: -0.428
local terms energy: -50.678366
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -9.749
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -9.506
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: 1, replica: 4
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -204.076014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.076014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.076014 (E_RNA)
where:
Base-Base interactions energy: -128.538
where: short stacking energy: -71.340
Base-Backbone interact. energy: -0.083
local terms energy: -75.455435
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -20.425
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: 5
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -197.944772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.944772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.944772 (E_RNA)
where:
Base-Base interactions energy: -127.362
where: short stacking energy: -58.888
Base-Backbone interact. energy: -0.444
local terms energy: -70.138618
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -17.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -167.861759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.861759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.861759 (E_RNA)
where:
Base-Base interactions energy: -101.314
where: short stacking energy: -55.359
Base-Backbone interact. energy: -0.396
local terms energy: -66.151593
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -11.788
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: 4, replica: 6
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -171.358432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.358432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.358432 (E_RNA)
where:
Base-Base interactions energy: -107.009
where: short stacking energy: -54.007
Base-Backbone interact. energy: 0.198
local terms energy: -64.547127
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -11.941
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: 5, replica: 8
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -127.024240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.024240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.024240 (E_RNA)
where:
Base-Base interactions energy: -69.373
where: short stacking energy: -37.918
Base-Backbone interact. energy: 0.166
local terms energy: -57.817291
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: -5.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -110.081442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.081442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.081442 (E_RNA)
where:
Base-Base interactions energy: -57.546
where: short stacking energy: -42.492
Base-Backbone interact. energy: -0.015
local terms energy: -52.521336
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -3.824
tors. eta vs tors. theta energy: -9.311
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: 10
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -104.936924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.936924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.936924 (E_RNA)
where:
Base-Base interactions energy: -51.130
where: short stacking energy: -37.559
Base-Backbone interact. energy: -0.243
local terms energy: -53.563947
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -5.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -97.543184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.543184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.543184 (E_RNA)
where:
Base-Base interactions energy: -43.674
where: short stacking energy: -38.547
Base-Backbone interact. energy: -0.013
local terms energy: -53.856787
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -17.385
flat angles P-C4'-P energy: -1.802
tors. eta vs tors. theta energy: -7.477
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: 9, replica: 7
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -78.515586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.515586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.515586 (E_RNA)
where:
Base-Base interactions energy: -28.140
where: short stacking energy: -23.022
Base-Backbone interact. energy: -0.091
local terms energy: -50.283895
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -8.391
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -5.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -77.068805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.068805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.068805 (E_RNA)
where:
Base-Base interactions energy: -27.508
where: short stacking energy: -8.657
Base-Backbone interact. energy: -0.169
local terms energy: -49.391563
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: 2.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -205.365077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.365077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.365077 (E_RNA)
where:
Base-Base interactions energy: -130.057
where: short stacking energy: -63.311
Base-Backbone interact. energy: -0.029
local terms energy: -75.278925
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -20.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -195.716452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.716452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.716452 (E_RNA)
where:
Base-Base interactions energy: -123.925
where: short stacking energy: -67.982
Base-Backbone interact. energy: -1.195
local terms energy: -70.596340
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -5.077
tors. eta vs tors. theta energy: -20.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -192.953279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.953279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.953279 (E_RNA)
where:
Base-Base interactions energy: -114.184
where: short stacking energy: -69.063
Base-Backbone interact. energy: -0.066
local terms energy: -78.703882
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -17.974
flat angles P-C4'-P energy: -10.613
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: 4, replica: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -167.130623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.130623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.130623 (E_RNA)
where:
Base-Base interactions energy: -103.340
where: short stacking energy: -53.905
Base-Backbone interact. energy: -0.591
local terms energy: -63.199746
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -10.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -168.808405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.808405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.808405 (E_RNA)
where:
Base-Base interactions energy: -105.507
where: short stacking energy: -51.897
Base-Backbone interact. energy: -0.107
local terms energy: -63.194581
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -10.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -97.253785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.253785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.253785 (E_RNA)
where:
Base-Base interactions energy: -44.617
where: short stacking energy: -33.414
Base-Backbone interact. energy: 0.116
local terms energy: -52.752815
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -9.282
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -4.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -137.017013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.017013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.017013 (E_RNA)
where:
Base-Base interactions energy: -85.963
where: short stacking energy: -38.182
Base-Backbone interact. energy: -0.435
local terms energy: -50.619175
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -9.303
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: 8, replica: 3
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -82.743591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.743591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.743591 (E_RNA)
where:
Base-Base interactions energy: -34.611
where: short stacking energy: -34.098
Base-Backbone interact. energy: -0.092
local terms energy: -48.040960
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -8.728
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -6.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -86.420226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.420226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.420226 (E_RNA)
where:
Base-Base interactions energy: -33.949
where: short stacking energy: -28.009
Base-Backbone interact. energy: -0.168
local terms energy: -52.302636
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -6.117
tors. eta vs tors. theta energy: 0.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -76.672903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.672903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.672903 (E_RNA)
where:
Base-Base interactions energy: -33.804
where: short stacking energy: -26.075
Base-Backbone interact. energy: -0.079
local terms energy: -42.790106
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -6.111
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -0.127
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: 4
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -206.006862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.006862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.006862 (E_RNA)
where:
Base-Base interactions energy: -132.254
where: short stacking energy: -72.482
Base-Backbone interact. energy: -0.001
local terms energy: -73.751494
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -19.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -200.834028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.834028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.834028 (E_RNA)
where:
Base-Base interactions energy: -125.814
where: short stacking energy: -64.428
Base-Backbone interact. energy: -0.011
local terms energy: -75.008827
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -19.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -196.963568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.963568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.963568 (E_RNA)
where:
Base-Base interactions energy: -121.036
where: short stacking energy: -71.726
Base-Backbone interact. energy: -0.001
local terms energy: -75.926342
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -18.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -163.652955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.652955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.652955 (E_RNA)
where:
Base-Base interactions energy: -99.368
where: short stacking energy: -53.294
Base-Backbone interact. energy: -0.245
local terms energy: -64.040757
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -12.265
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: 8
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -162.157402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.157402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.157402 (E_RNA)
where:
Base-Base interactions energy: -97.939
where: short stacking energy: -53.717
Base-Backbone interact. energy: -0.453
local terms energy: -63.765335
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -11.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -145.708747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.708747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.708747 (E_RNA)
where:
Base-Base interactions energy: -85.628
where: short stacking energy: -38.826
Base-Backbone interact. energy: -0.184
local terms energy: -59.895949
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -9.902
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -8.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -100.130129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.130129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.130129 (E_RNA)
where:
Base-Base interactions energy: -46.889
where: short stacking energy: -33.052
Base-Backbone interact. energy: -0.004
local terms energy: -53.236898
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -2.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -91.284704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.284704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.284704 (E_RNA)
where:
Base-Base interactions energy: -42.231
where: short stacking energy: -25.684
Base-Backbone interact. energy: 3.165
local terms energy: -52.219051
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -9.219
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: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -82.148134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.148134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.148134 (E_RNA)
where:
Base-Base interactions energy: -30.071
where: short stacking energy: -30.071
Base-Backbone interact. energy: -0.693
local terms energy: -51.384495
where:
bonds (distance) C4'-P energy: -10.194
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -10.286
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -6.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -85.127520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.127520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.127520 (E_RNA)
where:
Base-Base interactions energy: -31.992
where: short stacking energy: -27.352
Base-Backbone interact. energy: -0.080
local terms energy: -53.056099
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -1.076
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: 20
Temperature: 0.900000
Total energy: -213.028348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.028348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.028348 (E_RNA)
where:
Base-Base interactions energy: -128.371
where: short stacking energy: -74.088
Base-Backbone interact. energy: -0.440
local terms energy: -84.217845
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -24.126
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: 4
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -191.825777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.825777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.825777 (E_RNA)
where:
Base-Base interactions energy: -118.206
where: short stacking energy: -56.603
Base-Backbone interact. energy: -0.252
local terms energy: -73.368174
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -18.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -190.109351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.109351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.109351 (E_RNA)
where:
Base-Base interactions energy: -124.224
where: short stacking energy: -66.056
Base-Backbone interact. energy: -0.076
local terms energy: -65.808681
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -15.366
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: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -173.579301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.579301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.579301 (E_RNA)
where:
Base-Base interactions energy: -106.918
where: short stacking energy: -60.844
Base-Backbone interact. energy: -0.038
local terms energy: -66.623725
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -15.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -151.666824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.666824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.666824 (E_RNA)
where:
Base-Base interactions energy: -93.924
where: short stacking energy: -54.399
Base-Backbone interact. energy: -0.002
local terms energy: -57.740445
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -11.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -125.348576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.348576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.348576 (E_RNA)
where:
Base-Base interactions energy: -73.785
where: short stacking energy: -23.356
Base-Backbone interact. energy: -1.844
local terms energy: -49.719341
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -8.319
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: 7, replica: 3
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -100.708770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.708770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.708770 (E_RNA)
where:
Base-Base interactions energy: -48.968
where: short stacking energy: -28.091
Base-Backbone interact. energy: 0.137
local terms energy: -51.877598
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -2.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -88.839347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.839347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.839347 (E_RNA)
where:
Base-Base interactions energy: -42.125
where: short stacking energy: -24.132
Base-Backbone interact. energy: 0.535
local terms energy: -47.248811
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -11.316
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -0.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -93.744240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.744240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.744240 (E_RNA)
where:
Base-Base interactions energy: -41.005
where: short stacking energy: -37.452
Base-Backbone interact. energy: -0.021
local terms energy: -52.717612
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -6.473
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -5.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -88.368832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.368832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.368832 (E_RNA)
where:
Base-Base interactions energy: -38.159
where: short stacking energy: -35.783
Base-Backbone interact. energy: 0.000
local terms energy: -50.210223
where:
bonds (distance) C4'-P energy: -8.447
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -5.299
tors. eta vs tors. theta energy: -5.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -208.494319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.494319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.494319 (E_RNA)
where:
Base-Base interactions energy: -125.759
where: short stacking energy: -71.987
Base-Backbone interact. energy: -0.934
local terms energy: -81.801900
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -20.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -190.284841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.284841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.284841 (E_RNA)
where:
Base-Base interactions energy: -115.227
where: short stacking energy: -60.481
Base-Backbone interact. energy: -0.031
local terms energy: -75.026323
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -11.220
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: 6
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -194.413103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.413103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.413103 (E_RNA)
where:
Base-Base interactions energy: -114.629
where: short stacking energy: -57.576
Base-Backbone interact. energy: -1.588
local terms energy: -78.195333
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -17.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -164.746362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.746362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.746362 (E_RNA)
where:
Base-Base interactions energy: -95.804
where: short stacking energy: -55.756
Base-Backbone interact. energy: 0.501
local terms energy: -69.443124
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -8.189
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: 5, replica: 10
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -154.421204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.421204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.421204 (E_RNA)
where:
Base-Base interactions energy: -104.820
where: short stacking energy: -54.071
Base-Backbone interact. energy: -0.162
local terms energy: -49.439281
where:
bonds (distance) C4'-P energy: -6.654
bonds (distance) P-C4' energy: -9.975
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -9.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -150.083656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.083656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.083656 (E_RNA)
where:
Base-Base interactions energy: -101.033
where: short stacking energy: -31.582
Base-Backbone interact. energy: -0.452
local terms energy: -48.599113
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -8.680
flat angles P-C4'-P energy: -6.648
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: 7, replica: 3
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -90.359855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.359855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.359855 (E_RNA)
where:
Base-Base interactions energy: -38.376
where: short stacking energy: -28.659
Base-Backbone interact. energy: -1.234
local terms energy: -50.750420
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -5.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -85.616183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.616183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.616183 (E_RNA)
where:
Base-Base interactions energy: -43.128
where: short stacking energy: -29.733
Base-Backbone interact. energy: -0.400
local terms energy: -42.088887
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -11.506
flat angles C4'-P-C4' energy: -7.781
flat angles P-C4'-P energy: -5.451
tors. eta vs tors. theta energy: -3.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -88.583293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.583293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.583293 (E_RNA)
where:
Base-Base interactions energy: -35.065
where: short stacking energy: -32.765
Base-Backbone interact. energy: -0.107
local terms energy: -53.412107
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -10.895
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -4.742
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: 21
Temperature: 1.350000
Total energy: -87.458877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.458877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.458877 (E_RNA)
where:
Base-Base interactions energy: -36.609
where: short stacking energy: -27.292
Base-Backbone interact. energy: -0.497
local terms energy: -50.352945
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -11.143
flat angles P-C4'-P energy: -4.869
tors. eta vs tors. theta energy: -5.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -206.164111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.164111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.164111 (E_RNA)
where:
Base-Base interactions energy: -129.181
where: short stacking energy: -71.384
Base-Backbone interact. energy: -1.097
local terms energy: -75.885836
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -11.002
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: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -207.653421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.653421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.653421 (E_RNA)
where:
Base-Base interactions energy: -125.300
where: short stacking energy: -67.258
Base-Backbone interact. energy: -0.281
local terms energy: -82.073283
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -14.699
tors. eta vs tors. theta energy: -21.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -182.271203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.271203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.271203 (E_RNA)
where:
Base-Base interactions energy: -110.487
where: short stacking energy: -61.249
Base-Backbone interact. energy: -0.014
local terms energy: -71.770485
where:
bonds (distance) C4'-P energy: -9.793
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -18.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -179.795733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.795733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.795733 (E_RNA)
where:
Base-Base interactions energy: -111.250
where: short stacking energy: -60.323
Base-Backbone interact. energy: -0.510
local terms energy: -68.036060
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -13.453
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: 5, replica: 8
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -165.546774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.546774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.546774 (E_RNA)
where:
Base-Base interactions energy: -103.097
where: short stacking energy: -39.569
Base-Backbone interact. energy: -1.418
local terms energy: -61.032384
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -10.296
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: 10
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -141.231411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.231411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.231411 (E_RNA)
where:
Base-Base interactions energy: -79.130
where: short stacking energy: -40.965
Base-Backbone interact. energy: -0.208
local terms energy: -61.893968
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -9.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -97.708876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.708876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.708876 (E_RNA)
where:
Base-Base interactions energy: -48.557
where: short stacking energy: -41.716
Base-Backbone interact. energy: -0.230
local terms energy: -48.922306
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -10.131
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -6.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -79.612677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.612677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.612677 (E_RNA)
where:
Base-Base interactions energy: -35.876
where: short stacking energy: -30.263
Base-Backbone interact. energy: 0.453
local terms energy: -44.190150
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -11.840
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -0.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -83.195798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.195798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.195798 (E_RNA)
where:
Base-Base interactions energy: -23.701
where: short stacking energy: -23.701
Base-Backbone interact. energy: -0.208
local terms energy: -59.287444
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -8.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -78.619319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.619319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.619319 (E_RNA)
where:
Base-Base interactions energy: -33.038
where: short stacking energy: -23.155
Base-Backbone interact. energy: -0.162
local terms energy: -45.419202
where:
bonds (distance) C4'-P energy: -10.253
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: 2.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -212.981936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.981936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.981936 (E_RNA)
where:
Base-Base interactions energy: -131.633
where: short stacking energy: -74.085
Base-Backbone interact. energy: -0.058
local terms energy: -81.291119
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -10.119
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: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -200.510808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.510808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.510808 (E_RNA)
where:
Base-Base interactions energy: -119.843
where: short stacking energy: -57.548
Base-Backbone interact. energy: -0.579
local terms energy: -80.088440
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -21.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -182.504172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.504172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.504172 (E_RNA)
where:
Base-Base interactions energy: -118.114
where: short stacking energy: -54.885
Base-Backbone interact. energy: 0.475
local terms energy: -64.865109
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -12.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -182.627878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.627878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.627878 (E_RNA)
where:
Base-Base interactions energy: -118.575
where: short stacking energy: -63.648
Base-Backbone interact. energy: -0.004
local terms energy: -64.048533
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -8.584
flat angles C4'-P-C4' energy: -17.879
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -14.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -161.334898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.334898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.334898 (E_RNA)
where:
Base-Base interactions energy: -99.008
where: short stacking energy: -35.922
Base-Backbone interact. energy: -0.443
local terms energy: -61.883986
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -8.542
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: 6, replica: 10
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -164.502678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.502678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.502678 (E_RNA)
where:
Base-Base interactions energy: -102.020
where: short stacking energy: -52.537
Base-Backbone interact. energy: -0.312
local terms energy: -62.170550
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -14.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -93.811307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.811307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.811307 (E_RNA)
where:
Base-Base interactions energy: -47.475
where: short stacking energy: -22.654
Base-Backbone interact. energy: 0.152
local terms energy: -46.489206
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -6.241
tors. eta vs tors. theta energy: 0.259
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: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -88.083105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.083105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.083105 (E_RNA)
where:
Base-Base interactions energy: -43.200
where: short stacking energy: -25.765
Base-Backbone interact. energy: -0.308
local terms energy: -44.575277
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -7.817
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -4.301
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: 9, replica: 1
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -74.444000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.444000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.444000 (E_RNA)
where:
Base-Base interactions energy: -23.727
where: short stacking energy: -20.949
Base-Backbone interact. energy: -0.223
local terms energy: -50.494228
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -8.417
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: 7
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -76.072760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.072760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.072760 (E_RNA)
where:
Base-Base interactions energy: -25.220
where: short stacking energy: -26.320
Base-Backbone interact. energy: -0.239
local terms energy: -50.613498
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -8.451
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -3.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -199.405986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.405986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.405986 (E_RNA)
where:
Base-Base interactions energy: -126.718
where: short stacking energy: -77.094
Base-Backbone interact. energy: -0.634
local terms energy: -72.053258
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -17.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -200.743085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.743085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.743085 (E_RNA)
where:
Base-Base interactions energy: -124.143
where: short stacking energy: -65.455
Base-Backbone interact. energy: -0.027
local terms energy: -76.573308
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -20.068
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: 24
Temperature: 1.000000
Total energy: -175.862836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.862836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.862836 (E_RNA)
where:
Base-Base interactions energy: -111.317
where: short stacking energy: -38.625
Base-Backbone interact. energy: -1.125
local terms energy: -63.420611
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -9.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -195.928187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.928187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.928187 (E_RNA)
where:
Base-Base interactions energy: -118.406
where: short stacking energy: -62.718
Base-Backbone interact. energy: -0.589
local terms energy: -76.933757
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -20.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -156.718188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.718188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.718188 (E_RNA)
where:
Base-Base interactions energy: -99.869
where: short stacking energy: -36.424
Base-Backbone interact. energy: -1.179
local terms energy: -55.669925
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -9.430
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: 6, replica: 8
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -150.104273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.104273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.104273 (E_RNA)
where:
Base-Base interactions energy: -98.284
where: short stacking energy: -38.510
Base-Backbone interact. energy: -0.746
local terms energy: -51.073758
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -10.486
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -9.271
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: 7, replica: 9
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -90.909055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.909055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.909055 (E_RNA)
where:
Base-Base interactions energy: -42.067
where: short stacking energy: -36.470
Base-Backbone interact. energy: -0.072
local terms energy: -48.769811
where:
bonds (distance) C4'-P energy: -8.770
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -5.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -84.302275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.302275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.302275 (E_RNA)
where:
Base-Base interactions energy: -32.438
where: short stacking energy: -29.726
Base-Backbone interact. energy: -0.742
local terms energy: -51.122629
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: -4.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -85.557988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.557988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.557988 (E_RNA)
where:
Base-Base interactions energy: -41.594
where: short stacking energy: -21.885
Base-Backbone interact. energy: -0.643
local terms energy: -43.320872
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -7.977
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: 10, replica: 1
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -74.105989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.105989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.105989 (E_RNA)
where:
Base-Base interactions energy: -27.621
where: short stacking energy: -27.621
Base-Backbone interact. energy: 0.258
local terms energy: -46.742671
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -11.070
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: 1.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -202.375396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.375396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.375396 (E_RNA)
where:
Base-Base interactions energy: -130.146
where: short stacking energy: -71.336
Base-Backbone interact. energy: -0.046
local terms energy: -72.183866
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -20.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -185.296273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.296273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.296273 (E_RNA)
where:
Base-Base interactions energy: -111.456
where: short stacking energy: -46.098
Base-Backbone interact. energy: -0.284
local terms energy: -73.556818
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -13.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -191.167016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.167016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.167016 (E_RNA)
where:
Base-Base interactions energy: -120.185
where: short stacking energy: -64.790
Base-Backbone interact. energy: 0.646
local terms energy: -71.628534
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -16.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -164.306027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.306027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.306027 (E_RNA)
where:
Base-Base interactions energy: -106.109
where: short stacking energy: -38.471
Base-Backbone interact. energy: -0.303
local terms energy: -57.893310
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -9.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -159.537649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.537649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.537649 (E_RNA)
where:
Base-Base interactions energy: -100.460
where: short stacking energy: -58.583
Base-Backbone interact. energy: -1.133
local terms energy: -57.944605
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -10.545
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -6.266
tors. eta vs tors. theta energy: -13.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -140.300666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.300666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.300666 (E_RNA)
where:
Base-Base interactions energy: -86.285
where: short stacking energy: -42.061
Base-Backbone interact. energy: -0.034
local terms energy: -53.981757
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -4.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -89.386895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.386895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.386895 (E_RNA)
where:
Base-Base interactions energy: -37.936
where: short stacking energy: -37.936
Base-Backbone interact. energy: -0.025
local terms energy: -51.425364
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -4.308
tors. eta vs tors. theta energy: -7.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -87.228535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.228535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.228535 (E_RNA)
where:
Base-Base interactions energy: -38.688
where: short stacking energy: -27.310
Base-Backbone interact. energy: 0.826
local terms energy: -49.366275
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -11.483
flat angles P-C4'-P energy: -4.838
tors. eta vs tors. theta energy: -5.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -86.357732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.357732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.357732 (E_RNA)
where:
Base-Base interactions energy: -33.129
where: short stacking energy: -29.320
Base-Backbone interact. energy: -0.005
local terms energy: -53.223594
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: -4.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -75.605620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.605620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.605620 (E_RNA)
where:
Base-Base interactions energy: -19.358
where: short stacking energy: -19.358
Base-Backbone interact. energy: -0.104
local terms energy: -56.143778
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -5.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -194.861339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.861339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.861339 (E_RNA)
where:
Base-Base interactions energy: -122.792
where: short stacking energy: -49.784
Base-Backbone interact. energy: -1.008
local terms energy: -71.061384
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -12.797
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: 2
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -192.666813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.666813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.666813 (E_RNA)
where:
Base-Base interactions energy: -122.366
where: short stacking energy: -61.460
Base-Backbone interact. energy: -0.141
local terms energy: -70.159912
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -16.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -195.865417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.865417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.865417 (E_RNA)
where:
Base-Base interactions energy: -119.910
where: short stacking energy: -61.481
Base-Backbone interact. energy: -0.044
local terms energy: -75.910631
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -11.621
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: 4, replica: 10
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -163.047033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.047033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.047033 (E_RNA)
where:
Base-Base interactions energy: -98.122
where: short stacking energy: -52.417
Base-Backbone interact. energy: -0.115
local terms energy: -64.810274
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -9.977
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: 5
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -164.073184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.073184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.073184 (E_RNA)
where:
Base-Base interactions energy: -97.397
where: short stacking energy: -51.821
Base-Backbone interact. energy: -0.016
local terms energy: -66.659866
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -12.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -144.271822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.271822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.271822 (E_RNA)
where:
Base-Base interactions energy: -89.261
where: short stacking energy: -41.574
Base-Backbone interact. energy: -1.380
local terms energy: -53.630483
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -6.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -97.898695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.898695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.898695 (E_RNA)
where:
Base-Base interactions energy: -43.637
where: short stacking energy: -28.864
Base-Backbone interact. energy: -0.233
local terms energy: -54.028230
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -5.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -80.240334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.240334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.240334 (E_RNA)
where:
Base-Base interactions energy: -34.311
where: short stacking energy: -22.068
Base-Backbone interact. energy: -0.573
local terms energy: -45.356791
where:
bonds (distance) C4'-P energy: -9.980
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: 0.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -93.139654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.139654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.139654 (E_RNA)
where:
Base-Base interactions energy: -40.891
where: short stacking energy: -27.961
Base-Backbone interact. energy: 0.074
local terms energy: -52.323112
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: -5.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -88.931062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.931062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.931062 (E_RNA)
where:
Base-Base interactions energy: -37.047
where: short stacking energy: -22.501
Base-Backbone interact. energy: -0.033
local terms energy: -51.850768
where:
bonds (distance) C4'-P energy: -9.077
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -3.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -200.447602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.447602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.447602 (E_RNA)
where:
Base-Base interactions energy: -133.782
where: short stacking energy: -58.798
Base-Backbone interact. energy: -0.160
local terms energy: -66.505404
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -14.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -203.128601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.128601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.128601 (E_RNA)
where:
Base-Base interactions energy: -127.116
where: short stacking energy: -67.993
Base-Backbone interact. energy: -0.440
local terms energy: -75.572804
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -19.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -200.879942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.879942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.879942 (E_RNA)
where:
Base-Base interactions energy: -125.464
where: short stacking energy: -70.228
Base-Backbone interact. energy: -0.003
local terms energy: -75.412499
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -20.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -182.461451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.461451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.461451 (E_RNA)
where:
Base-Base interactions energy: -116.264
where: short stacking energy: -58.735
Base-Backbone interact. energy: -0.300
local terms energy: -65.897074
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -17.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -160.912780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.912780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.912780 (E_RNA)
where:
Base-Base interactions energy: -98.196
where: short stacking energy: -60.960
Base-Backbone interact. energy: -0.001
local terms energy: -62.715337
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -16.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -158.065726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.065726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.065726 (E_RNA)
where:
Base-Base interactions energy: -97.458
where: short stacking energy: -48.330
Base-Backbone interact. energy: -0.038
local terms energy: -60.569009
where:
bonds (distance) C4'-P energy: -9.854
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -13.302
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: 27
Temperature: 1.200000
Total energy: -113.189690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.189690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.189690 (E_RNA)
where:
Base-Base interactions energy: -57.022
where: short stacking energy: -39.358
Base-Backbone interact. energy: 0.345
local terms energy: -56.512273
where:
bonds (distance) C4'-P energy: -8.136
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -8.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -102.635050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.635050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.635050 (E_RNA)
where:
Base-Base interactions energy: -45.503
where: short stacking energy: -34.328
Base-Backbone interact. energy: -0.165
local terms energy: -56.966564
where:
bonds (distance) C4'-P energy: -11.115
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -4.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -92.075959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.075959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.075959 (E_RNA)
where:
Base-Base interactions energy: -56.660
where: short stacking energy: -28.307
Base-Backbone interact. energy: 1.003
local terms energy: -36.419630
where:
bonds (distance) C4'-P energy: -7.699
bonds (distance) P-C4' energy: -14.897
flat angles C4'-P-C4' energy: -10.422
flat angles P-C4'-P energy: -2.591
tors. eta vs tors. theta energy: -0.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -81.387045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.387045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.387045 (E_RNA)
where:
Base-Base interactions energy: -33.718
where: short stacking energy: -33.540
Base-Backbone interact. energy: -0.101
local terms energy: -47.568271
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -6.793
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -6.908
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: 4
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -202.875164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.875164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.875164 (E_RNA)
where:
Base-Base interactions energy: -128.733
where: short stacking energy: -69.276
Base-Backbone interact. energy: 0.710
local terms energy: -74.851629
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -18.599
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -20.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -197.468979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.468979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.468979 (E_RNA)
where:
Base-Base interactions energy: -131.083
where: short stacking energy: -59.293
Base-Backbone interact. energy: -0.089
local terms energy: -66.296667
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -7.667
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: 3, replica: 5
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -184.065552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.065552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.065552 (E_RNA)
where:
Base-Base interactions energy: -114.120
where: short stacking energy: -63.765
Base-Backbone interact. energy: -0.001
local terms energy: -69.944414
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -16.066
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: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -184.314117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.314117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.314117 (E_RNA)
where:
Base-Base interactions energy: -114.425
where: short stacking energy: -54.405
Base-Backbone interact. energy: -0.025
local terms energy: -69.864105
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -10.661
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: 5, replica: 8
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -164.116757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.116757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.116757 (E_RNA)
where:
Base-Base interactions energy: -103.172
where: short stacking energy: -45.118
Base-Backbone interact. energy: -1.068
local terms energy: -59.876918
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -8.550
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: 10
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -136.206483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.206483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.206483 (E_RNA)
where:
Base-Base interactions energy: -77.353
where: short stacking energy: -37.915
Base-Backbone interact. energy: 0.401
local terms energy: -59.254865
where:
bonds (distance) C4'-P energy: -7.247
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -11.359
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: 7, replica: 1
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -99.174549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.174549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.174549 (E_RNA)
where:
Base-Base interactions energy: -54.761
where: short stacking energy: -24.053
Base-Backbone interact. energy: -0.514
local terms energy: -43.899423
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -3.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -104.487704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.487704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.487704 (E_RNA)
where:
Base-Base interactions energy: -62.201
where: short stacking energy: -28.510
Base-Backbone interact. energy: -1.309
local terms energy: -40.977415
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -5.529
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: 0.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -72.034869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.034869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.034869 (E_RNA)
where:
Base-Base interactions energy: -29.053
where: short stacking energy: -25.315
Base-Backbone interact. energy: 4.360
local terms energy: -47.341053
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -7.253
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: 10, replica: 3
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -73.888492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.888492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.888492 (E_RNA)
where:
Base-Base interactions energy: -23.523
where: short stacking energy: -19.601
Base-Backbone interact. energy: -0.686
local terms energy: -49.678868
where:
bonds (distance) C4'-P energy: -10.382
bonds (distance) P-C4' energy: -10.536
flat angles C4'-P-C4' energy: -10.903
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -5.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -202.293483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.293483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.293483 (E_RNA)
where:
Base-Base interactions energy: -126.107
where: short stacking energy: -73.547
Base-Backbone interact. energy: -0.464
local terms energy: -75.722291
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -19.263
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: 2, replica: 5
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -196.020442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.020442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.020442 (E_RNA)
where:
Base-Base interactions energy: -118.147
where: short stacking energy: -66.597
Base-Backbone interact. energy: -0.237
local terms energy: -77.636722
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -19.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -188.245134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.245134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.245134 (E_RNA)
where:
Base-Base interactions energy: -113.939
where: short stacking energy: -46.105
Base-Backbone interact. energy: -0.118
local terms energy: -74.188179
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -14.519
tors. eta vs tors. theta energy: -13.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -191.556825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.556825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.556825 (E_RNA)
where:
Base-Base interactions energy: -118.545
where: short stacking energy: -68.258
Base-Backbone interact. energy: -0.040
local terms energy: -72.971570
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -17.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -157.220672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.220672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.220672 (E_RNA)
where:
Base-Base interactions energy: -93.744
where: short stacking energy: -44.940
Base-Backbone interact. energy: -0.230
local terms energy: -63.246858
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -10.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -156.950752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.950752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.950752 (E_RNA)
where:
Base-Base interactions energy: -102.752
where: short stacking energy: -46.484
Base-Backbone interact. energy: -0.006
local terms energy: -54.193431
where:
bonds (distance) C4'-P energy: -7.757
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -7.927
flat angles P-C4'-P energy: -11.740
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: 7, replica: 1
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -87.766248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.766248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.766248 (E_RNA)
where:
Base-Base interactions energy: -48.713
where: short stacking energy: -20.028
Base-Backbone interact. energy: -1.322
local terms energy: -37.731827
where:
bonds (distance) C4'-P energy: -10.423
bonds (distance) P-C4' energy: -12.425
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: 4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -75.487268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.487268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.487268 (E_RNA)
where:
Base-Base interactions energy: -25.306
where: short stacking energy: -25.306
Base-Backbone interact. energy: -0.090
local terms energy: -50.091729
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -3.841
tors. eta vs tors. theta energy: 1.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -83.994398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.994398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.994398 (E_RNA)
where:
Base-Base interactions energy: -40.151
where: short stacking energy: -26.450
Base-Backbone interact. energy: -0.029
local terms energy: -43.814114
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -2.177
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: 3
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -82.382476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.382476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.382476 (E_RNA)
where:
Base-Base interactions energy: -40.069
where: short stacking energy: -19.205
Base-Backbone interact. energy: -0.074
local terms energy: -42.239362
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -9.652
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -3.833
tors. eta vs tors. theta energy: -5.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -204.416832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.416832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.416832 (E_RNA)
where:
Base-Base interactions energy: -129.664
where: short stacking energy: -64.752
Base-Backbone interact. energy: -1.019
local terms energy: -73.733836
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -18.537
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -19.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -194.903788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.903788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.903788 (E_RNA)
where:
Base-Base interactions energy: -118.837
where: short stacking energy: -60.389
Base-Backbone interact. energy: -0.054
local terms energy: -76.013518
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -17.240
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: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -196.750850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.750850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.750850 (E_RNA)
where:
Base-Base interactions energy: -119.923
where: short stacking energy: -66.620
Base-Backbone interact. energy: -0.001
local terms energy: -76.826673
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -22.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -171.080241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.080241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.080241 (E_RNA)
where:
Base-Base interactions energy: -100.805
where: short stacking energy: -49.246
Base-Backbone interact. energy: -0.003
local terms energy: -70.271821
where:
bonds (distance) C4'-P energy: -12.308
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -13.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -164.212859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.212859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.212859 (E_RNA)
where:
Base-Base interactions energy: -101.581
where: short stacking energy: -49.178
Base-Backbone interact. energy: -0.162
local terms energy: -62.470303
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -1.968
tors. eta vs tors. theta energy: -15.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -135.640058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.640058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.640058 (E_RNA)
where:
Base-Base interactions energy: -81.942
where: short stacking energy: -35.850
Base-Backbone interact. energy: -0.146
local terms energy: -53.552295
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -2.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -106.266905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.266905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.266905 (E_RNA)
where:
Base-Base interactions energy: -57.557
where: short stacking energy: -32.884
Base-Backbone interact. energy: -0.421
local terms energy: -48.288440
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -10.363
flat angles P-C4'-P energy: -5.117
tors. eta vs tors. theta energy: -4.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -88.834238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.834238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.834238 (E_RNA)
where:
Base-Base interactions energy: -42.793
where: short stacking energy: -26.855
Base-Backbone interact. energy: 0.103
local terms energy: -46.144134
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -4.912
tors. eta vs tors. theta energy: 0.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -82.399240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.399240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.399240 (E_RNA)
where:
Base-Base interactions energy: -31.350
where: short stacking energy: -31.550
Base-Backbone interact. energy: 2.678
local terms energy: -53.727095
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -5.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -82.349793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.349793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.349793 (E_RNA)
where:
Base-Base interactions energy: -30.543
where: short stacking energy: -21.624
Base-Backbone interact. energy: -0.021
local terms energy: -51.786598
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -9.593
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -2.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -202.371403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.371403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.371403 (E_RNA)
where:
Base-Base interactions energy: -136.811
where: short stacking energy: -54.338
Base-Backbone interact. energy: -0.007
local terms energy: -65.554365
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -14.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -185.189369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.189369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.189369 (E_RNA)
where:
Base-Base interactions energy: -115.089
where: short stacking energy: -52.985
Base-Backbone interact. energy: 3.950
local terms energy: -74.050827
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -19.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -180.211392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.211392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.211392 (E_RNA)
where:
Base-Base interactions energy: -100.532
where: short stacking energy: -60.761
Base-Backbone interact. energy: -0.578
local terms energy: -79.101470
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -21.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -179.795246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.795246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.795246 (E_RNA)
where:
Base-Base interactions energy: -113.637
where: short stacking energy: -60.913
Base-Backbone interact. energy: -0.751
local terms energy: -65.407393
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -9.981
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -15.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -153.684544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.684544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.684544 (E_RNA)
where:
Base-Base interactions energy: -89.370
where: short stacking energy: -42.015
Base-Backbone interact. energy: -1.148
local terms energy: -63.167057
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -10.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -121.296180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.296180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.296180 (E_RNA)
where:
Base-Base interactions energy: -66.578
where: short stacking energy: -41.087
Base-Backbone interact. energy: 0.115
local terms energy: -54.833301
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -4.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -114.530502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.530502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.530502 (E_RNA)
where:
Base-Base interactions energy: -62.225
where: short stacking energy: -32.093
Base-Backbone interact. energy: -0.177
local terms energy: -52.128165
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -2.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -89.515615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.515615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.515615 (E_RNA)
where:
Base-Base interactions energy: -31.819
where: short stacking energy: -31.819
Base-Backbone interact. energy: -0.195
local terms energy: -57.500686
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -9.937
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -6.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -84.430241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.430241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.430241 (E_RNA)
where:
Base-Base interactions energy: -27.686
where: short stacking energy: -27.686
Base-Backbone interact. energy: -0.025
local terms energy: -56.719324
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -8.304
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: 10, replica: 3
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -76.472143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.472143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.472143 (E_RNA)
where:
Base-Base interactions energy: -32.776
where: short stacking energy: -26.195
Base-Backbone interact. energy: -0.155
local terms energy: -43.540413
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -9.918
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -1.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -210.081034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.081034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.081034 (E_RNA)
where:
Base-Base interactions energy: -133.703
where: short stacking energy: -64.358
Base-Backbone interact. energy: -1.593
local terms energy: -74.784954
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -16.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -190.747141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.747141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.747141 (E_RNA)
where:
Base-Base interactions energy: -114.945
where: short stacking energy: -59.954
Base-Backbone interact. energy: 0.153
local terms energy: -75.955316
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -17.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -184.183670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.183670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.183670 (E_RNA)
where:
Base-Base interactions energy: -109.952
where: short stacking energy: -56.723
Base-Backbone interact. energy: -0.010
local terms energy: -74.222145
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -14.937
tors. eta vs tors. theta energy: -16.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -174.316000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.316000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.316000 (E_RNA)
where:
Base-Base interactions energy: -103.148
where: short stacking energy: -53.099
Base-Backbone interact. energy: -0.112
local terms energy: -71.056106
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -12.357
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: 5, replica: 7
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -136.698488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.698488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.698488 (E_RNA)
where:
Base-Base interactions energy: -78.792
where: short stacking energy: -43.326
Base-Backbone interact. energy: -0.057
local terms energy: -57.849913
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -4.076
tors. eta vs tors. theta energy: -11.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -159.642935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.642935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.642935 (E_RNA)
where:
Base-Base interactions energy: -102.352
where: short stacking energy: -59.845
Base-Backbone interact. energy: -0.269
local terms energy: -57.022033
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -11.289
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -14.794
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: 1
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -99.607417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.607417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.607417 (E_RNA)
where:
Base-Base interactions energy: -40.183
where: short stacking energy: -40.183
Base-Backbone interact. energy: -0.209
local terms energy: -59.215205
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -6.803
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: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -101.029150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.029150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.029150 (E_RNA)
where:
Base-Base interactions energy: -56.180
where: short stacking energy: -26.029
Base-Backbone interact. energy: -0.460
local terms energy: -44.388977
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: 2.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -78.079269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.079269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.079269 (E_RNA)
where:
Base-Base interactions energy: -27.276
where: short stacking energy: -27.276
Base-Backbone interact. energy: -0.330
local terms energy: -50.473033
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: 1.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -72.428431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.428431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.428431 (E_RNA)
where:
Base-Base interactions energy: -25.867
where: short stacking energy: -25.867
Base-Backbone interact. energy: 0.103
local terms energy: -46.665040
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -0.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -197.440043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.440043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.440043 (E_RNA)
where:
Base-Base interactions energy: -133.046
where: short stacking energy: -55.545
Base-Backbone interact. energy: 0.011
local terms energy: -64.404422
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -10.753
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -13.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -188.853710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.853710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.853710 (E_RNA)
where:
Base-Base interactions energy: -121.829
where: short stacking energy: -65.483
Base-Backbone interact. energy: -0.002
local terms energy: -67.022633
where:
bonds (distance) C4'-P energy: -13.165
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -17.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -179.076777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.076777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.076777 (E_RNA)
where:
Base-Base interactions energy: -111.972
where: short stacking energy: -54.566
Base-Backbone interact. energy: -0.008
local terms energy: -67.097321
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -8.043
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: 4, replica: 6
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -159.239492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.239492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.239492 (E_RNA)
where:
Base-Base interactions energy: -94.002
where: short stacking energy: -48.579
Base-Backbone interact. energy: -0.027
local terms energy: -65.210952
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -9.045
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -11.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -149.890955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.890955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.890955 (E_RNA)
where:
Base-Base interactions energy: -98.106
where: short stacking energy: -40.191
Base-Backbone interact. energy: -1.584
local terms energy: -50.200765
where:
bonds (distance) C4'-P energy: -8.750
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -6.119
tors. eta vs tors. theta energy: -4.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -110.339947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.339947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.339947 (E_RNA)
where:
Base-Base interactions energy: -51.052
where: short stacking energy: -44.391
Base-Backbone interact. energy: -0.033
local terms energy: -59.254573
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -8.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -138.304299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.304299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.304299 (E_RNA)
where:
Base-Base interactions energy: -93.003
where: short stacking energy: -47.362
Base-Backbone interact. energy: -0.615
local terms energy: -44.686245
where:
bonds (distance) C4'-P energy: -9.959
bonds (distance) P-C4' energy: -10.304
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -8.586
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: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -87.713649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.713649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.713649 (E_RNA)
where:
Base-Base interactions energy: -36.735
where: short stacking energy: -27.698
Base-Backbone interact. energy: -0.216
local terms energy: -50.762558
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -7.891
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -1.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -79.544916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.544916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.544916 (E_RNA)
where:
Base-Base interactions energy: -31.914
where: short stacking energy: -23.843
Base-Backbone interact. energy: -0.045
local terms energy: -47.585941
where:
bonds (distance) C4'-P energy: -7.939
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -8.893
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -3.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -78.692459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.692459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.692459 (E_RNA)
where:
Base-Base interactions energy: -31.617
where: short stacking energy: -27.829
Base-Backbone interact. energy: 0.259
local terms energy: -47.334135
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -5.441
tors. eta vs tors. theta energy: -0.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -195.110437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.110437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.110437 (E_RNA)
where:
Base-Base interactions energy: -118.375
where: short stacking energy: -66.498
Base-Backbone interact. energy: -0.024
local terms energy: -76.711112
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -17.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -182.611779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.611779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.611779 (E_RNA)
where:
Base-Base interactions energy: -116.088
where: short stacking energy: -59.582
Base-Backbone interact. energy: -0.398
local terms energy: -66.125373
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -9.232
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: 2
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -189.338540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.338540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.338540 (E_RNA)
where:
Base-Base interactions energy: -115.877
where: short stacking energy: -61.037
Base-Backbone interact. energy: -0.279
local terms energy: -73.183244
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -19.498
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: 6
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -176.464260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.464260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.464260 (E_RNA)
where:
Base-Base interactions energy: -108.078
where: short stacking energy: -46.472
Base-Backbone interact. energy: -0.039
local terms energy: -68.347887
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -16.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -159.204427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.204427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.204427 (E_RNA)
where:
Base-Base interactions energy: -101.685
where: short stacking energy: -42.220
Base-Backbone interact. energy: -0.124
local terms energy: -57.395211
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -9.920
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -8.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -101.436712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.436712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.436712 (E_RNA)
where:
Base-Base interactions energy: -51.515
where: short stacking energy: -45.577
Base-Backbone interact. energy: -0.279
local terms energy: -49.643099
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -3.835
tors. eta vs tors. theta energy: -10.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -101.678191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.678191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.678191 (E_RNA)
where:
Base-Base interactions energy: -39.247
where: short stacking energy: -26.888
Base-Backbone interact. energy: -0.075
local terms energy: -62.356311
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: -4.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -146.104058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.104058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.104058 (E_RNA)
where:
Base-Base interactions energy: -78.729
where: short stacking energy: -39.330
Base-Backbone interact. energy: -0.297
local terms energy: -67.079002
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -11.388
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: 3
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -78.181711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.181711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.181711 (E_RNA)
where:
Base-Base interactions energy: -25.436
where: short stacking energy: -21.248
Base-Backbone interact. energy: -0.175
local terms energy: -52.570515
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -11.863
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -10.493
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: 10, replica: 8
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -78.551197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.551197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.551197 (E_RNA)
where:
Base-Base interactions energy: -30.411
where: short stacking energy: -30.411
Base-Backbone interact. energy: -0.125
local terms energy: -48.015191
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: 2.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -193.732757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.732757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.732757 (E_RNA)
where:
Base-Base interactions energy: -124.255
where: short stacking energy: -52.276
Base-Backbone interact. energy: -0.204
local terms energy: -69.273256
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -10.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -203.298493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.298493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.298493 (E_RNA)
where:
Base-Base interactions energy: -134.896
where: short stacking energy: -77.040
Base-Backbone interact. energy: -0.001
local terms energy: -68.401264
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -17.415
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: 5
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -189.549335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.549335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.549335 (E_RNA)
where:
Base-Base interactions energy: -117.267
where: short stacking energy: -55.660
Base-Backbone interact. energy: -0.405
local terms energy: -71.877607
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -16.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -160.198207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.198207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.198207 (E_RNA)
where:
Base-Base interactions energy: -102.400
where: short stacking energy: -46.658
Base-Backbone interact. energy: -0.673
local terms energy: -57.125184
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -9.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -180.638147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.638147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.638147 (E_RNA)
where:
Base-Base interactions energy: -102.832
where: short stacking energy: -64.005
Base-Backbone interact. energy: -0.134
local terms energy: -77.671997
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -19.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -99.445189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.445189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.445189 (E_RNA)
where:
Base-Base interactions energy: -39.613
where: short stacking energy: -35.577
Base-Backbone interact. energy: -0.184
local terms energy: -59.648701
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -4.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -95.140305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.140305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.140305 (E_RNA)
where:
Base-Base interactions energy: -38.244
where: short stacking energy: -38.244
Base-Backbone interact. energy: -0.087
local terms energy: -56.809986
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -5.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -131.496695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.496695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.496695 (E_RNA)
where:
Base-Base interactions energy: -79.203
where: short stacking energy: -42.639
Base-Backbone interact. energy: -0.896
local terms energy: -51.397649
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -11.640
flat angles C4'-P-C4' energy: -9.611
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -3.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -80.268301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.268301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.268301 (E_RNA)
where:
Base-Base interactions energy: -32.018
where: short stacking energy: -26.068
Base-Backbone interact. energy: -0.223
local terms energy: -48.026638
where:
bonds (distance) C4'-P energy: -8.240
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -1.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -73.585880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.585880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.585880 (E_RNA)
where:
Base-Base interactions energy: -36.908
where: short stacking energy: -18.705
Base-Backbone interact. energy: -0.869
local terms energy: -35.809386
where:
bonds (distance) C4'-P energy: -9.264
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -6.376
flat angles P-C4'-P energy: -9.408
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: 36
Temperature: 0.900000
Total energy: -195.476038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.476038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.476038 (E_RNA)
where:
Base-Base interactions energy: -125.721
where: short stacking energy: -66.835
Base-Backbone interact. energy: -0.033
local terms energy: -69.721399
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -14.323
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -14.692
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: 2, replica: 4
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -195.079350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.079350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.079350 (E_RNA)
where:
Base-Base interactions energy: -125.770
where: short stacking energy: -57.825
Base-Backbone interact. energy: -0.093
local terms energy: -69.216216
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -9.127
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -15.721
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: 5
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -180.260939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.260939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.260939 (E_RNA)
where:
Base-Base interactions energy: -114.501
where: short stacking energy: -48.491
Base-Backbone interact. energy: -0.080
local terms energy: -65.680393
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -17.535
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: 4, replica: 7
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -152.870207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.870207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.870207 (E_RNA)
where:
Base-Base interactions energy: -86.317
where: short stacking energy: -42.590
Base-Backbone interact. energy: -0.030
local terms energy: -66.523697
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -10.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -172.972506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.972506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.972506 (E_RNA)
where:
Base-Base interactions energy: -112.647
where: short stacking energy: -54.874
Base-Backbone interact. energy: -0.228
local terms energy: -60.097627
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -6.692
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -12.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -104.142815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.142815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.142815 (E_RNA)
where:
Base-Base interactions energy: -48.210
where: short stacking energy: -40.493
Base-Backbone interact. energy: -1.327
local terms energy: -54.605960
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -6.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -125.018261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.018261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.018261 (E_RNA)
where:
Base-Base interactions energy: -76.866
where: short stacking energy: -35.433
Base-Backbone interact. energy: -0.399
local terms energy: -47.753277
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -0.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -103.021223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.021223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.021223 (E_RNA)
where:
Base-Base interactions energy: -49.732
where: short stacking energy: -35.694
Base-Backbone interact. energy: -0.071
local terms energy: -53.219198
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -8.640
flat angles P-C4'-P energy: -8.948
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: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -76.396016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.396016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.396016 (E_RNA)
where:
Base-Base interactions energy: -35.763
where: short stacking energy: -35.763
Base-Backbone interact. energy: -0.191
local terms energy: -40.442865
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -11.331
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: 0.264
tors. eta vs tors. theta energy: -3.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -71.580889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.580889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.580889 (E_RNA)
where:
Base-Base interactions energy: -29.035
where: short stacking energy: -23.535
Base-Backbone interact. energy: 1.309
local terms energy: -43.854850
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -9.994
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: 0.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -203.098603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.098603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.098603 (E_RNA)
where:
Base-Base interactions energy: -127.561
where: short stacking energy: -62.469
Base-Backbone interact. energy: -0.821
local terms energy: -74.716764
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -12.707
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: 5
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -206.733244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.733244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.733244 (E_RNA)
where:
Base-Base interactions energy: -126.059
where: short stacking energy: -63.176
Base-Backbone interact. energy: -0.008
local terms energy: -80.666316
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -23.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -187.970220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.970220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.970220 (E_RNA)
where:
Base-Base interactions energy: -120.558
where: short stacking energy: -63.283
Base-Backbone interact. energy: -0.657
local terms energy: -66.754929
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -3.405
tors. eta vs tors. theta energy: -17.172
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: 6
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -181.625622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.625622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.625622 (E_RNA)
where:
Base-Base interactions energy: -114.962
where: short stacking energy: -64.679
Base-Backbone interact. energy: 0.862
local terms energy: -67.525672
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -10.295
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -10.544
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: 7
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -165.947061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.947061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.947061 (E_RNA)
where:
Base-Base interactions energy: -109.381
where: short stacking energy: -49.062
Base-Backbone interact. energy: -0.059
local terms energy: -56.507643
where:
bonds (distance) C4'-P energy: -9.548
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -9.263
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: 10
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -138.276849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.276849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.276849 (E_RNA)
where:
Base-Base interactions energy: -88.313
where: short stacking energy: -45.600
Base-Backbone interact. energy: -0.349
local terms energy: -49.615279
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -13.935
flat angles C4'-P-C4' energy: -9.647
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -5.001
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: 1
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -91.822280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.822280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.822280 (E_RNA)
where:
Base-Base interactions energy: -33.648
where: short stacking energy: -33.648
Base-Backbone interact. energy: -0.091
local terms energy: -58.083637
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -8.199
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: 9
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -91.493160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.493160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.493160 (E_RNA)
where:
Base-Base interactions energy: -38.209
where: short stacking energy: -33.255
Base-Backbone interact. energy: -0.626
local terms energy: -52.659023
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -5.185
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: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -82.981149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.981149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.981149 (E_RNA)
where:
Base-Base interactions energy: -26.211
where: short stacking energy: -26.211
Base-Backbone interact. energy: -0.376
local terms energy: -56.393423
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -2.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -87.646238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.646238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.646238 (E_RNA)
where:
Base-Base interactions energy: -43.381
where: short stacking energy: -27.057
Base-Backbone interact. energy: -0.201
local terms energy: -44.064273
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -3.688
tors. eta vs tors. theta energy: -0.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -209.397966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.397966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.397966 (E_RNA)
where:
Base-Base interactions energy: -130.410
where: short stacking energy: -74.140
Base-Backbone interact. energy: -0.007
local terms energy: -78.981165
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -18.156
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -20.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -200.739144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.739144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.739144 (E_RNA)
where:
Base-Base interactions energy: -127.147
where: short stacking energy: -58.975
Base-Backbone interact. energy: -0.001
local terms energy: -73.591067
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -19.436
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: 3, replica: 6
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -187.400914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.400914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.400914 (E_RNA)
where:
Base-Base interactions energy: -116.473
where: short stacking energy: -64.611
Base-Backbone interact. energy: -0.566
local terms energy: -70.362085
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -8.539
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: 4, replica: 4
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -191.060504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.060504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.060504 (E_RNA)
where:
Base-Base interactions energy: -121.018
where: short stacking energy: -60.336
Base-Backbone interact. energy: -0.065
local terms energy: -69.977286
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -11.850
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -14.666
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: 5, replica: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -161.046996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.046996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.046996 (E_RNA)
where:
Base-Base interactions energy: -103.715
where: short stacking energy: -43.315
Base-Backbone interact. energy: -1.066
local terms energy: -56.265973
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -8.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -141.695938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.695938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.695938 (E_RNA)
where:
Base-Base interactions energy: -83.771
where: short stacking energy: -34.265
Base-Backbone interact. energy: -0.254
local terms energy: -57.670772
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -5.774
tors. eta vs tors. theta energy: -3.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -100.068410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.068410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.068410 (E_RNA)
where:
Base-Base interactions energy: -45.021
where: short stacking energy: -41.552
Base-Backbone interact. energy: 1.359
local terms energy: -56.406164
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -7.295
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: 1
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -87.355450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.355450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.355450 (E_RNA)
where:
Base-Base interactions energy: -34.345
where: short stacking energy: -30.766
Base-Backbone interact. energy: -0.233
local terms energy: -52.777509
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -11.069
flat angles P-C4'-P energy: -4.356
tors. eta vs tors. theta energy: -5.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -134.754633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.754633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.754633 (E_RNA)
where:
Base-Base interactions energy: -76.184
where: short stacking energy: -38.453
Base-Backbone interact. energy: 1.888
local terms energy: -60.458628
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -6.990
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: 8
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -75.897382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.897382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.897382 (E_RNA)
where:
Base-Base interactions energy: -33.783
where: short stacking energy: -33.540
Base-Backbone interact. energy: -0.077
local terms energy: -42.037665
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -7.669
flat angles C4'-P-C4' energy: -9.406
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -3.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -209.166268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.166268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.166268 (E_RNA)
where:
Base-Base interactions energy: -128.582
where: short stacking energy: -59.931
Base-Backbone interact. energy: -0.837
local terms energy: -79.747490
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -18.208
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -19.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -192.938311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.938311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.938311 (E_RNA)
where:
Base-Base interactions energy: -127.350
where: short stacking energy: -55.183
Base-Backbone interact. energy: -0.495
local terms energy: -65.094147
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -5.435
tors. eta vs tors. theta energy: -18.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -183.004496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.004496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.004496 (E_RNA)
where:
Base-Base interactions energy: -114.893
where: short stacking energy: -51.021
Base-Backbone interact. energy: -1.080
local terms energy: -67.031539
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -11.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -166.340556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.340556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.340556 (E_RNA)
where:
Base-Base interactions energy: -103.301
where: short stacking energy: -44.998
Base-Backbone interact. energy: -0.658
local terms energy: -62.382379
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -10.699
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -12.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -179.596554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.596554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.596554 (E_RNA)
where:
Base-Base interactions energy: -106.412
where: short stacking energy: -57.294
Base-Backbone interact. energy: -0.091
local terms energy: -73.093194
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -15.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -154.648782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.648782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.648782 (E_RNA)
where:
Base-Base interactions energy: -97.834
where: short stacking energy: -50.841
Base-Backbone interact. energy: -0.221
local terms energy: -56.594429
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -10.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -87.529355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.529355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.529355 (E_RNA)
where:
Base-Base interactions energy: -29.476
where: short stacking energy: -29.476
Base-Backbone interact. energy: -0.099
local terms energy: -57.954877
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -16.742
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -6.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -132.404254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.404254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.404254 (E_RNA)
where:
Base-Base interactions energy: -85.842
where: short stacking energy: -34.446
Base-Backbone interact. energy: -0.211
local terms energy: -46.351130
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -9.272
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -3.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -78.496592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.496592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.496592 (E_RNA)
where:
Base-Base interactions energy: -34.445
where: short stacking energy: -25.301
Base-Backbone interact. energy: 0.099
local terms energy: -44.149882
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -11.195
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -4.162
tors. eta vs tors. theta energy: -0.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -82.046494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.046494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.046494 (E_RNA)
where:
Base-Base interactions energy: -24.429
where: short stacking energy: -24.696
Base-Backbone interact. energy: -0.155
local terms energy: -57.462112
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: 0.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -211.075864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.075864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.075864 (E_RNA)
where:
Base-Base interactions energy: -131.946
where: short stacking energy: -66.159
Base-Backbone interact. energy: -1.351
local terms energy: -77.778982
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -22.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -181.492360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.492360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.492360 (E_RNA)
where:
Base-Base interactions energy: -115.423
where: short stacking energy: -58.562
Base-Backbone interact. energy: -0.536
local terms energy: -65.533489
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -15.233
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: 6
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -193.652697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.652697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.652697 (E_RNA)
where:
Base-Base interactions energy: -117.160
where: short stacking energy: -64.646
Base-Backbone interact. energy: -0.033
local terms energy: -76.460100
where:
bonds (distance) C4'-P energy: -17.869
bonds (distance) P-C4' energy: -16.109
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -16.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -171.806038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.806038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.806038 (E_RNA)
where:
Base-Base interactions energy: -109.288
where: short stacking energy: -42.028
Base-Backbone interact. energy: -0.638
local terms energy: -61.879464
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -5.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -177.925411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.925411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.925411 (E_RNA)
where:
Base-Base interactions energy: -115.555
where: short stacking energy: -55.456
Base-Backbone interact. energy: -0.143
local terms energy: -62.227369
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -4.343
tors. eta vs tors. theta energy: -12.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -165.281589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.281589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.281589 (E_RNA)
where:
Base-Base interactions energy: -101.059
where: short stacking energy: -59.082
Base-Backbone interact. energy: -0.018
local terms energy: -64.205097
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -8.398
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -15.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -111.291853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.291853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.291853 (E_RNA)
where:
Base-Base interactions energy: -57.735
where: short stacking energy: -29.715
Base-Backbone interact. energy: -0.315
local terms energy: -53.241580
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -10.651
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -5.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -84.545331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.545331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.545331 (E_RNA)
where:
Base-Base interactions energy: -33.108
where: short stacking energy: -14.464
Base-Backbone interact. energy: -0.142
local terms energy: -51.295260
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -7.955
flat angles P-C4'-P energy: -11.656
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: 8
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -72.347540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.347540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.347540 (E_RNA)
where:
Base-Base interactions energy: -28.029
where: short stacking energy: -25.533
Base-Backbone interact. energy: -0.733
local terms energy: -43.584987
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -10.495
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -1.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -74.337075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.337075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.337075 (E_RNA)
where:
Base-Base interactions energy: -32.304
where: short stacking energy: -22.141
Base-Backbone interact. energy: -0.205
local terms energy: -41.828575
where:
bonds (distance) C4'-P energy: -10.158
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -10.246
flat angles P-C4'-P energy: -6.319
tors. eta vs tors. theta energy: 1.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -202.138051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.138051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.138051 (E_RNA)
where:
Base-Base interactions energy: -124.621
where: short stacking energy: -71.316
Base-Backbone interact. energy: -1.415
local terms energy: -76.101989
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -15.189
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -21.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -200.451127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.451127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.451127 (E_RNA)
where:
Base-Base interactions energy: -130.280
where: short stacking energy: -71.658
Base-Backbone interact. energy: -0.010
local terms energy: -70.160684
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -19.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -195.639879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.639879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.639879 (E_RNA)
where:
Base-Base interactions energy: -113.874
where: short stacking energy: -70.957
Base-Backbone interact. energy: 0.647
local terms energy: -82.413066
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -17.589
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -21.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -178.960494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.960494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.960494 (E_RNA)
where:
Base-Base interactions energy: -107.421
where: short stacking energy: -52.910
Base-Backbone interact. energy: 0.408
local terms energy: -71.947811
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -16.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -169.866026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.866026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.866026 (E_RNA)
where:
Base-Base interactions energy: -97.893
where: short stacking energy: -41.168
Base-Backbone interact. energy: -0.093
local terms energy: -71.880575
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -13.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -157.175763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.175763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.175763 (E_RNA)
where:
Base-Base interactions energy: -89.735
where: short stacking energy: -45.632
Base-Backbone interact. energy: -1.189
local terms energy: -66.251292
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -10.207
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: 3
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -133.809334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.809334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.809334 (E_RNA)
where:
Base-Base interactions energy: -78.365
where: short stacking energy: -37.244
Base-Backbone interact. energy: -0.063
local terms energy: -55.381857
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -2.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -78.185049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.185049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.185049 (E_RNA)
where:
Base-Base interactions energy: -31.958
where: short stacking energy: -27.414
Base-Backbone interact. energy: 1.015
local terms energy: -47.241751
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -8.989
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -2.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -76.646925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.646925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.646925 (E_RNA)
where:
Base-Base interactions energy: -29.623
where: short stacking energy: -28.101
Base-Backbone interact. energy: -0.104
local terms energy: -46.919475
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -9.963
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -1.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -80.218666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.218666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.218666 (E_RNA)
where:
Base-Base interactions energy: -35.323
where: short stacking energy: -31.753
Base-Backbone interact. energy: -0.063
local terms energy: -44.832134
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -8.283
flat angles P-C4'-P energy: -6.407
tors. eta vs tors. theta energy: -5.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -201.293488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.293488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.293488 (E_RNA)
where:
Base-Base interactions energy: -123.317
where: short stacking energy: -68.671
Base-Backbone interact. energy: -0.000
local terms energy: -77.975918
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -23.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -188.638467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.638467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.638467 (E_RNA)
where:
Base-Base interactions energy: -120.565
where: short stacking energy: -62.064
Base-Backbone interact. energy: 0.128
local terms energy: -68.201350
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -6.837
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: 3, replica: 4
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -179.551419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.551419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.551419 (E_RNA)
where:
Base-Base interactions energy: -112.772
where: short stacking energy: -56.132
Base-Backbone interact. energy: -0.258
local terms energy: -66.521552
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -9.510
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -14.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -178.986484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.986484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.986484 (E_RNA)
where:
Base-Base interactions energy: -115.932
where: short stacking energy: -67.506
Base-Backbone interact. energy: -0.002
local terms energy: -63.052478
where:
bonds (distance) C4'-P energy: -8.291
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -17.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -151.400056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.400056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.400056 (E_RNA)
where:
Base-Base interactions energy: -97.255
where: short stacking energy: -41.062
Base-Backbone interact. energy: -0.204
local terms energy: -53.941372
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -8.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -136.617171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.617171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.617171 (E_RNA)
where:
Base-Base interactions energy: -79.230
where: short stacking energy: -32.817
Base-Backbone interact. energy: -0.146
local terms energy: -57.242119
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -7.205
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: 3
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -155.052044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.052044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.052044 (E_RNA)
where:
Base-Base interactions energy: -96.306
where: short stacking energy: -39.829
Base-Backbone interact. energy: -1.385
local terms energy: -57.360633
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -8.691
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: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -95.336703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.336703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.336703 (E_RNA)
where:
Base-Base interactions energy: -33.797
where: short stacking energy: -32.213
Base-Backbone interact. energy: -1.018
local terms energy: -60.521036
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -6.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -102.398786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.398786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.398786 (E_RNA)
where:
Base-Base interactions energy: -52.664
where: short stacking energy: -37.860
Base-Backbone interact. energy: -0.222
local terms energy: -49.512870
where:
bonds (distance) C4'-P energy: -8.166
bonds (distance) P-C4' energy: -11.330
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -8.373
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: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -77.972817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.972817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.972817 (E_RNA)
where:
Base-Base interactions energy: -33.774
where: short stacking energy: -25.269
Base-Backbone interact. energy: -0.591
local terms energy: -43.607752
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -10.516
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -0.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -206.372757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.372757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.372757 (E_RNA)
where:
Base-Base interactions energy: -127.539
where: short stacking energy: -61.408
Base-Backbone interact. energy: -0.501
local terms energy: -78.332526
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -22.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -198.070652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.070652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.070652 (E_RNA)
where:
Base-Base interactions energy: -126.844
where: short stacking energy: -60.883
Base-Backbone interact. energy: -0.004
local terms energy: -71.222718
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -13.148
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: 2
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -186.911128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.911128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.911128 (E_RNA)
where:
Base-Base interactions energy: -111.995
where: short stacking energy: -61.890
Base-Backbone interact. energy: -0.004
local terms energy: -74.911809
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -18.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -175.564174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.564174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.564174 (E_RNA)
where:
Base-Base interactions energy: -115.350
where: short stacking energy: -57.733
Base-Backbone interact. energy: -0.583
local terms energy: -59.630469
where:
bonds (distance) C4'-P energy: -8.398
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -13.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -147.067866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.067866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.067866 (E_RNA)
where:
Base-Base interactions energy: -79.028
where: short stacking energy: -42.443
Base-Backbone interact. energy: -0.096
local terms energy: -67.943746
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -8.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -142.039862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.039862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.039862 (E_RNA)
where:
Base-Base interactions energy: -85.505
where: short stacking energy: -46.236
Base-Backbone interact. energy: -0.623
local terms energy: -55.911274
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -11.177
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: 7, replica: 7
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -90.433151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.433151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.433151 (E_RNA)
where:
Base-Base interactions energy: -37.970
where: short stacking energy: -29.654
Base-Backbone interact. energy: -0.268
local terms energy: -52.194877
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -3.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -94.445134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.445134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.445134 (E_RNA)
where:
Base-Base interactions energy: -43.435
where: short stacking energy: -28.439
Base-Backbone interact. energy: -0.140
local terms energy: -50.869979
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -5.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -80.220261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.220261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.220261 (E_RNA)
where:
Base-Base interactions energy: -35.919
where: short stacking energy: -35.055
Base-Backbone interact. energy: 0.211
local terms energy: -44.512411
where:
bonds (distance) C4'-P energy: -7.487
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: 0.719
tors. eta vs tors. theta energy: -9.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -71.304997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.304997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.304997 (E_RNA)
where:
Base-Base interactions energy: -33.527
where: short stacking energy: -31.471
Base-Backbone interact. energy: 2.337
local terms energy: -40.115792
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -11.864
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -5.163
tors. eta vs tors. theta energy: -1.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -202.787211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.787211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.787211 (E_RNA)
where:
Base-Base interactions energy: -128.752
where: short stacking energy: -65.917
Base-Backbone interact. energy: -0.009
local terms energy: -74.026600
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -17.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -200.311940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.311940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.311940 (E_RNA)
where:
Base-Base interactions energy: -120.875
where: short stacking energy: -67.062
Base-Backbone interact. energy: -0.091
local terms energy: -79.346039
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -22.982
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: 44
Temperature: 1.000000
Total energy: -173.666312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.666312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.666312 (E_RNA)
where:
Base-Base interactions energy: -98.426
where: short stacking energy: -55.742
Base-Backbone interact. energy: -0.063
local terms energy: -75.176351
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -17.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -188.751527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.751527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.751527 (E_RNA)
where:
Base-Base interactions energy: -114.855
where: short stacking energy: -61.357
Base-Backbone interact. energy: -0.106
local terms energy: -73.790264
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -16.584
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: 10
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -163.566242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.566242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.566242 (E_RNA)
where:
Base-Base interactions energy: -97.982
where: short stacking energy: -54.681
Base-Backbone interact. energy: -0.046
local terms energy: -65.538584
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -10.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -120.539203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.539203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.539203 (E_RNA)
where:
Base-Base interactions energy: -66.793
where: short stacking energy: -27.657
Base-Backbone interact. energy: -0.536
local terms energy: -53.209934
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -6.865
tors. eta vs tors. theta energy: -3.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -107.492872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.492872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.492872 (E_RNA)
where:
Base-Base interactions energy: -51.608
where: short stacking energy: -42.120
Base-Backbone interact. energy: -0.084
local terms energy: -55.800827
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -3.130
tors. eta vs tors. theta energy: -6.741
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: 7
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -83.155877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.155877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.155877 (E_RNA)
where:
Base-Base interactions energy: -38.470
where: short stacking energy: -36.307
Base-Backbone interact. energy: -0.634
local terms energy: -44.051407
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -7.960
flat angles C4'-P-C4' energy: -7.999
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: -6.763
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: 9
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -76.162317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.162317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.162317 (E_RNA)
where:
Base-Base interactions energy: -30.324
where: short stacking energy: -30.324
Base-Backbone interact. energy: 2.917
local terms energy: -48.755992
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -11.013
flat angles C4'-P-C4' energy: -10.483
flat angles P-C4'-P energy: -5.646
tors. eta vs tors. theta energy: -4.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -80.083257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.083257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.083257 (E_RNA)
where:
Base-Base interactions energy: -24.951
where: short stacking energy: -18.340
Base-Backbone interact. energy: -0.271
local terms energy: -54.861284
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -3.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -211.951641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.951641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.951641 (E_RNA)
where:
Base-Base interactions energy: -133.694
where: short stacking energy: -72.988
Base-Backbone interact. energy: -0.488
local terms energy: -77.769535
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -20.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -184.021494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.021494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.021494 (E_RNA)
where:
Base-Base interactions energy: -116.211
where: short stacking energy: -61.868
Base-Backbone interact. energy: -0.007
local terms energy: -67.804393
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -14.224
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: 6
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -191.236486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.236486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.236486 (E_RNA)
where:
Base-Base interactions energy: -111.681
where: short stacking energy: -68.084
Base-Backbone interact. energy: 0.062
local terms energy: -79.616709
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -19.548
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: 5
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -180.019934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.019934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.019934 (E_RNA)
where:
Base-Base interactions energy: -119.949
where: short stacking energy: -55.454
Base-Backbone interact. energy: -0.106
local terms energy: -59.965273
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -11.273
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -12.101
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: 5, replica: 10
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -146.827578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.827578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.827578 (E_RNA)
where:
Base-Base interactions energy: -87.639
where: short stacking energy: -49.280
Base-Backbone interact. energy: -0.353
local terms energy: -58.835424
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -10.562
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: 45
Temperature: 1.150000
Total energy: -138.347626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.347626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.347626 (E_RNA)
where:
Base-Base interactions energy: -80.299
where: short stacking energy: -40.969
Base-Backbone interact. energy: -0.255
local terms energy: -57.793866
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -12.227
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -9.434
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: 1
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -104.954188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.954188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.954188 (E_RNA)
where:
Base-Base interactions energy: -38.989
where: short stacking energy: -34.500
Base-Backbone interact. energy: -0.092
local terms energy: -65.872937
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -10.419
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: 8, replica: 9
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -88.816344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.816344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.816344 (E_RNA)
where:
Base-Base interactions energy: -40.592
where: short stacking energy: -29.379
Base-Backbone interact. energy: -0.023
local terms energy: -48.201063
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -3.364
tors. eta vs tors. theta energy: -0.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -84.100316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.100316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.100316 (E_RNA)
where:
Base-Base interactions energy: -32.976
where: short stacking energy: -29.120
Base-Backbone interact. energy: -0.410
local terms energy: -50.714366
where:
bonds (distance) C4'-P energy: -10.174
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: -4.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -81.737907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.737907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.737907 (E_RNA)
where:
Base-Base interactions energy: -32.313
where: short stacking energy: -32.313
Base-Backbone interact. energy: -0.061
local terms energy: -49.363735
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -4.153
tors. eta vs tors. theta energy: -5.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -207.064585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.064585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.064585 (E_RNA)
where:
Base-Base interactions energy: -130.503
where: short stacking energy: -70.301
Base-Backbone interact. energy: -0.010
local terms energy: -76.551918
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -18.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -194.545552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.545552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.545552 (E_RNA)
where:
Base-Base interactions energy: -125.801
where: short stacking energy: -68.986
Base-Backbone interact. energy: -0.007
local terms energy: -68.737831
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -15.974
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: 3, replica: 6
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -195.218493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.218493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.218493 (E_RNA)
where:
Base-Base interactions energy: -121.907
where: short stacking energy: -69.822
Base-Backbone interact. energy: -1.627
local terms energy: -71.684666
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -19.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -184.413270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.413270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.413270 (E_RNA)
where:
Base-Base interactions energy: -114.639
where: short stacking energy: -53.175
Base-Backbone interact. energy: -0.186
local terms energy: -69.588633
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -14.727
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: 5, replica: 3
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -177.985828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.985828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.985828 (E_RNA)
where:
Base-Base interactions energy: -106.818
where: short stacking energy: -55.658
Base-Backbone interact. energy: -0.375
local terms energy: -70.792743
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -14.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -141.353991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.353991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.353991 (E_RNA)
where:
Base-Base interactions energy: -79.010
where: short stacking energy: -40.767
Base-Backbone interact. energy: -1.654
local terms energy: -60.689934
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -8.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -99.884800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.884800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.884800 (E_RNA)
where:
Base-Base interactions energy: -41.609
where: short stacking energy: -41.609
Base-Backbone interact. energy: -0.001
local terms energy: -58.274950
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -8.936
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: 1
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -87.946387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.946387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.946387 (E_RNA)
where:
Base-Base interactions energy: -30.638
where: short stacking energy: -29.466
Base-Backbone interact. energy: -0.602
local terms energy: -56.705972
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -5.312
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: 8
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -87.882503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.882503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.882503 (E_RNA)
where:
Base-Base interactions energy: -44.060
where: short stacking energy: -26.779
Base-Backbone interact. energy: -0.254
local terms energy: -43.568611
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -10.098
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -0.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -80.635178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.635178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.635178 (E_RNA)
where:
Base-Base interactions energy: -29.273
where: short stacking energy: -27.146
Base-Backbone interact. energy: -0.011
local terms energy: -51.351024
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -1.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -188.703432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.703432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.703432 (E_RNA)
where:
Base-Base interactions energy: -115.294
where: short stacking energy: -54.313
Base-Backbone interact. energy: -0.045
local terms energy: -73.364206
where:
bonds (distance) C4'-P energy: -14.722
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -13.656
tors. eta vs tors. theta energy: -14.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -180.347056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.347056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.347056 (E_RNA)
where:
Base-Base interactions energy: -114.563
where: short stacking energy: -66.259
Base-Backbone interact. energy: 1.287
local terms energy: -67.071000
where:
bonds (distance) C4'-P energy: -7.883
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -16.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -193.056673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.056673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.056673 (E_RNA)
where:
Base-Base interactions energy: -121.162
where: short stacking energy: -66.715
Base-Backbone interact. energy: 1.378
local terms energy: -73.272408
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -17.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -186.936964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.936964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.936964 (E_RNA)
where:
Base-Base interactions energy: -116.989
where: short stacking energy: -58.289
Base-Backbone interact. energy: -0.534
local terms energy: -69.413918
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -13.288
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: 5, replica: 3
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -157.501771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.501771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.501771 (E_RNA)
where:
Base-Base interactions energy: -99.043
where: short stacking energy: -50.630
Base-Backbone interact. energy: -0.555
local terms energy: -57.904422
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -6.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -142.954796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.954796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.954796 (E_RNA)
where:
Base-Base interactions energy: -86.997
where: short stacking energy: -38.955
Base-Backbone interact. energy: -0.102
local terms energy: -55.856247
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -3.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -97.793095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.793095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.793095 (E_RNA)
where:
Base-Base interactions energy: -42.165
where: short stacking energy: -34.629
Base-Backbone interact. energy: -0.077
local terms energy: -55.550841
where:
bonds (distance) C4'-P energy: -8.200
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -9.443
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: 47
Temperature: 1.250000
Total energy: -96.339366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.339366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.339366 (E_RNA)
where:
Base-Base interactions energy: -40.770
where: short stacking energy: -27.422
Base-Backbone interact. energy: -1.077
local terms energy: -54.492565
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -4.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -84.045544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.045544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.045544 (E_RNA)
where:
Base-Base interactions energy: -33.813
where: short stacking energy: -33.218
Base-Backbone interact. energy: -0.240
local terms energy: -49.992601
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -7.084
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -3.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -83.353087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.353087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.353087 (E_RNA)
where:
Base-Base interactions energy: -35.499
where: short stacking energy: -35.202
Base-Backbone interact. energy: -0.057
local terms energy: -47.796409
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -8.643
flat angles P-C4'-P energy: -3.723
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: 1, replica: 4
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -196.415642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.415642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.415642 (E_RNA)
where:
Base-Base interactions energy: -120.684
where: short stacking energy: -64.434
Base-Backbone interact. energy: -0.120
local terms energy: -75.611749
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -19.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -179.400060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.400060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.400060 (E_RNA)
where:
Base-Base interactions energy: -111.167
where: short stacking energy: -61.646
Base-Backbone interact. energy: -0.256
local terms energy: -67.976157
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -14.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -171.785271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.785271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.785271 (E_RNA)
where:
Base-Base interactions energy: -101.229
where: short stacking energy: -59.917
Base-Backbone interact. energy: -0.046
local terms energy: -70.509706
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -16.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -189.925052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.925052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.925052 (E_RNA)
where:
Base-Base interactions energy: -117.693
where: short stacking energy: -53.029
Base-Backbone interact. energy: -1.407
local terms energy: -70.825023
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -16.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -158.395421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.395421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.395421 (E_RNA)
where:
Base-Base interactions energy: -93.381
where: short stacking energy: -50.339
Base-Backbone interact. energy: -0.039
local terms energy: -64.975317
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -12.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -152.456532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.456532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.456532 (E_RNA)
where:
Base-Base interactions energy: -84.762
where: short stacking energy: -42.810
Base-Backbone interact. energy: -0.105
local terms energy: -67.589394
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -8.859
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: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -96.953311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.953311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.953311 (E_RNA)
where:
Base-Base interactions energy: -41.191
where: short stacking energy: -37.784
Base-Backbone interact. energy: -0.138
local terms energy: -55.624774
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -6.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -88.260230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.260230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.260230 (E_RNA)
where:
Base-Base interactions energy: -41.110
where: short stacking energy: -37.804
Base-Backbone interact. energy: -0.279
local terms energy: -46.871123
where:
bonds (distance) C4'-P energy: -8.311
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -2.882
tors. eta vs tors. theta energy: -10.016
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: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -92.898496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.898496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.898496 (E_RNA)
where:
Base-Base interactions energy: -43.953
where: short stacking energy: -30.873
Base-Backbone interact. energy: -0.146
local terms energy: -48.798701
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -7.868
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: -8.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -88.598513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.598513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.598513 (E_RNA)
where:
Base-Base interactions energy: -32.191
where: short stacking energy: -32.191
Base-Backbone interact. energy: -0.014
local terms energy: -56.393570
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -5.311
tors. eta vs tors. theta energy: -3.052
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: 1, replica: 4
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -201.861583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.861583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.861583 (E_RNA)
where:
Base-Base interactions energy: -121.256
where: short stacking energy: -67.539
Base-Backbone interact. energy: -0.619
local terms energy: -79.985928
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -13.322
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: 2, replica: 2
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -167.062103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.062103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.062103 (E_RNA)
where:
Base-Base interactions energy: -95.010
where: short stacking energy: -56.974
Base-Backbone interact. energy: -0.375
local terms energy: -71.676647
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -12.316
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -12.662
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: 3, replica: 6
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -185.505775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.505775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.505775 (E_RNA)
where:
Base-Base interactions energy: -111.529
where: short stacking energy: -64.613
Base-Backbone interact. energy: -0.181
local terms energy: -73.796271
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -13.263
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: 10
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -171.910196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.910196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.910196 (E_RNA)
where:
Base-Base interactions energy: -101.417
where: short stacking energy: -49.692
Base-Backbone interact. energy: -1.006
local terms energy: -69.487788
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -13.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -179.389510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.389510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.389510 (E_RNA)
where:
Base-Base interactions energy: -121.833
where: short stacking energy: -51.866
Base-Backbone interact. energy: -1.187
local terms energy: -56.368782
where:
bonds (distance) C4'-P energy: -7.148
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -6.703
tors. eta vs tors. theta energy: -13.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -101.151191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.151191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.151191 (E_RNA)
where:
Base-Base interactions energy: -41.159
where: short stacking energy: -31.335
Base-Backbone interact. energy: -0.108
local terms energy: -59.884235
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -10.557
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: 7, replica: 3
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -141.253593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.253593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.253593 (E_RNA)
where:
Base-Base interactions energy: -82.704
where: short stacking energy: -33.076
Base-Backbone interact. energy: -0.099
local terms energy: -58.450446
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -10.884
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: 8, replica: 9
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -95.856800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.856800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.856800 (E_RNA)
where:
Base-Base interactions energy: -36.472
where: short stacking energy: -32.398
Base-Backbone interact. energy: -0.027
local terms energy: -59.357975
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -11.414
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -7.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -81.998307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.998307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.998307 (E_RNA)
where:
Base-Base interactions energy: -28.995
where: short stacking energy: -25.725
Base-Backbone interact. energy: -0.185
local terms energy: -52.818259
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: 0.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -74.657641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.657641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.657641 (E_RNA)
where:
Base-Base interactions energy: -35.424
where: short stacking energy: -23.528
Base-Backbone interact. energy: 1.133
local terms energy: -40.366518
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -11.180
flat angles P-C4'-P energy: -4.732
tors. eta vs tors. theta energy: 4.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -206.639357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.639357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.639357 (E_RNA)
where:
Base-Base interactions energy: -135.602
where: short stacking energy: -74.029
Base-Backbone interact. energy: -0.821
local terms energy: -70.216322
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -11.612
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: 2, replica: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -192.513972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.513972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.513972 (E_RNA)
where:
Base-Base interactions energy: -119.788
where: short stacking energy: -66.544
Base-Backbone interact. energy: -0.847
local terms energy: -71.878741
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -11.877
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: 3, replica: 10
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -171.808056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.808056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.808056 (E_RNA)
where:
Base-Base interactions energy: -104.672
where: short stacking energy: -53.138
Base-Backbone interact. energy: -0.113
local terms energy: -67.022902
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -13.403
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: 50
Temperature: 1.050000
Total energy: -188.363128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.363128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.363128 (E_RNA)
where:
Base-Base interactions energy: -116.671
where: short stacking energy: -64.185
Base-Backbone interact. energy: -0.213
local terms energy: -71.478748
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -11.156
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -17.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -168.493646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.493646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.493646 (E_RNA)
where:
Base-Base interactions energy: -99.202
where: short stacking energy: -45.479
Base-Backbone interact. energy: -0.434
local terms energy: -68.857508
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -14.720
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -12.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -107.604222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.604222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.604222 (E_RNA)
where:
Base-Base interactions energy: -46.458
where: short stacking energy: -36.940
Base-Backbone interact. energy: -0.285
local terms energy: -60.861273
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -10.686
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -11.397
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: 3
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -141.717603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.717603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.717603 (E_RNA)
where:
Base-Base interactions energy: -83.500
where: short stacking energy: -30.578
Base-Backbone interact. energy: -0.496
local terms energy: -57.721875
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -7.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -91.296039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.296039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.296039 (E_RNA)
where:
Base-Base interactions energy: -42.336
where: short stacking energy: -34.959
Base-Backbone interact. energy: -0.198
local terms energy: -48.762324
where:
bonds (distance) C4'-P energy: -10.054
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -10.304
flat angles P-C4'-P energy: -8.522
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: 9, replica: 7
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -87.133296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.133296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.133296 (E_RNA)
where:
Base-Base interactions energy: -35.703
where: short stacking energy: -25.293
Base-Backbone interact. energy: -0.154
local terms energy: -51.276050
where:
bonds (distance) C4'-P energy: -9.552
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -3.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -77.745613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.745613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.745613 (E_RNA)
where:
Base-Base interactions energy: -29.271
where: short stacking energy: -19.791
Base-Backbone interact. energy: -0.163
local terms energy: -48.312220
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: 2.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -188.877372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.877372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.877372 (E_RNA)
where:
Base-Base interactions energy: -123.291
where: short stacking energy: -65.080
Base-Backbone interact. energy: -0.673
local terms energy: -64.914060
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -15.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -205.191309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.191309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.191309 (E_RNA)
where:
Base-Base interactions energy: -143.834
where: short stacking energy: -48.759
Base-Backbone interact. energy: -0.477
local terms energy: -60.879999
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -9.805
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -15.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -179.694812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.694812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.694812 (E_RNA)
where:
Base-Base interactions energy: -113.095
where: short stacking energy: -59.602
Base-Backbone interact. energy: -0.093
local terms energy: -66.507247
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -14.037
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: 6
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -191.790322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.790322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.790322 (E_RNA)
where:
Base-Base interactions energy: -122.498
where: short stacking energy: -65.470
Base-Backbone interact. energy: -0.712
local terms energy: -68.579823
where:
bonds (distance) C4'-P energy: -8.616
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -17.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -173.688860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.688860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.688860 (E_RNA)
where:
Base-Base interactions energy: -101.027
where: short stacking energy: -48.700
Base-Backbone interact. energy: -0.032
local terms energy: -72.629028
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -16.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -135.652361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.652361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.652361 (E_RNA)
where:
Base-Base interactions energy: -68.829
where: short stacking energy: -39.237
Base-Backbone interact. energy: -0.279
local terms energy: -66.544196
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -12.161
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: 7, replica: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -106.648268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.648268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.648268 (E_RNA)
where:
Base-Base interactions energy: -51.439
where: short stacking energy: -32.951
Base-Backbone interact. energy: 2.498
local terms energy: -57.707319
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -8.704
flat angles P-C4'-P energy: -13.008
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: 8, replica: 7
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -87.162495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.162495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.162495 (E_RNA)
where:
Base-Base interactions energy: -28.236
where: short stacking energy: -28.216
Base-Backbone interact. energy: -0.186
local terms energy: -58.740839
where:
bonds (distance) C4'-P energy: -11.587
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -7.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -79.988736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.988736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.988736 (E_RNA)
where:
Base-Base interactions energy: -28.961
where: short stacking energy: -26.452
Base-Backbone interact. energy: -0.461
local terms energy: -50.566839
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -9.679
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -3.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -68.130631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.130631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.130631 (E_RNA)
where:
Base-Base interactions energy: -21.768
where: short stacking energy: -21.768
Base-Backbone interact. energy: -0.306
local terms energy: -46.056756
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -7.619
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: 0.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -209.107311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.107311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.107311 (E_RNA)
where:
Base-Base interactions energy: -136.743
where: short stacking energy: -45.979
Base-Backbone interact. energy: -0.880
local terms energy: -71.484839
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -14.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -182.532886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.532886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.532886 (E_RNA)
where:
Base-Base interactions energy: -111.101
where: short stacking energy: -55.914
Base-Backbone interact. energy: 0.091
local terms energy: -71.523389
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -13.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -184.529207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.529207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.529207 (E_RNA)
where:
Base-Base interactions energy: -108.768
where: short stacking energy: -57.643
Base-Backbone interact. energy: -0.107
local terms energy: -75.654167
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -13.248
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: 6
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -192.461948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.461948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.461948 (E_RNA)
where:
Base-Base interactions energy: -120.224
where: short stacking energy: -68.203
Base-Backbone interact. energy: 0.101
local terms energy: -72.338761
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -15.090
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: 5, replica: 5
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -158.978853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.978853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.978853 (E_RNA)
where:
Base-Base interactions energy: -102.657
where: short stacking energy: -47.116
Base-Backbone interact. energy: -0.241
local terms energy: -56.080725
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -11.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -167.289533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.289533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.289533 (E_RNA)
where:
Base-Base interactions energy: -102.008
where: short stacking energy: -47.386
Base-Backbone interact. energy: -0.193
local terms energy: -65.087665
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -14.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -116.942528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.942528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.942528 (E_RNA)
where:
Base-Base interactions energy: -59.432
where: short stacking energy: -32.589
Base-Backbone interact. energy: 0.121
local terms energy: -57.631746
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -7.632
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: 7
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -81.450718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.450718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.450718 (E_RNA)
where:
Base-Base interactions energy: -25.768
where: short stacking energy: -23.842
Base-Backbone interact. energy: 0.203
local terms energy: -55.885444
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -2.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -92.911136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.911136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.911136 (E_RNA)
where:
Base-Base interactions energy: -37.047
where: short stacking energy: -29.217
Base-Backbone interact. energy: 1.563
local terms energy: -57.427414
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -2.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -77.510964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.510964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.510964 (E_RNA)
where:
Base-Base interactions energy: -28.146
where: short stacking energy: -20.872
Base-Backbone interact. energy: -0.074
local terms energy: -49.290601
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -10.365
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: 0.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -209.817716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.817716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.817716 (E_RNA)
where:
Base-Base interactions energy: -144.928
where: short stacking energy: -51.396
Base-Backbone interact. energy: -0.457
local terms energy: -64.432550
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -10.627
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -15.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -198.435084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.435084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.435084 (E_RNA)
where:
Base-Base interactions energy: -122.665
where: short stacking energy: -70.516
Base-Backbone interact. energy: -0.091
local terms energy: -75.679774
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -11.301
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: 3, replica: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -188.027376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.027376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.027376 (E_RNA)
where:
Base-Base interactions energy: -115.623
where: short stacking energy: -63.072
Base-Backbone interact. energy: -0.004
local terms energy: -72.400446
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -16.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -166.542580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.542580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.542580 (E_RNA)
where:
Base-Base interactions energy: -104.144
where: short stacking energy: -50.559
Base-Backbone interact. energy: 1.429
local terms energy: -63.827322
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -10.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -184.049268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.049268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.049268 (E_RNA)
where:
Base-Base interactions energy: -114.261
where: short stacking energy: -61.682
Base-Backbone interact. energy: -1.113
local terms energy: -68.675685
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -10.375
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -9.349
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: 6, replica: 3
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -169.933165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.933165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.933165 (E_RNA)
where:
Base-Base interactions energy: -103.945
where: short stacking energy: -48.499
Base-Backbone interact. energy: 0.969
local terms energy: -66.957657
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -12.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -89.345078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.345078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.345078 (E_RNA)
where:
Base-Base interactions energy: -32.787
where: short stacking energy: -31.408
Base-Backbone interact. energy: -0.127
local terms energy: -56.431391
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -4.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -78.489219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.489219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.489219 (E_RNA)
where:
Base-Base interactions energy: -32.717
where: short stacking energy: -23.428
Base-Backbone interact. energy: -0.061
local terms energy: -45.711420
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -8.616
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: 1.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -79.845404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.845404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.845404 (E_RNA)
where:
Base-Base interactions energy: -31.790
where: short stacking energy: -25.435
Base-Backbone interact. energy: 0.327
local terms energy: -48.381916
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -11.221
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -1.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -79.402990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.402990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.402990 (E_RNA)
where:
Base-Base interactions energy: -25.817
where: short stacking energy: -21.439
Base-Backbone interact. energy: -0.021
local terms energy: -53.564291
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -8.416
flat angles P-C4'-P energy: -13.602
tors. eta vs tors. theta energy: -2.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -213.917726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.917726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.917726 (E_RNA)
where:
Base-Base interactions energy: -149.695
where: short stacking energy: -51.450
Base-Backbone interact. energy: -0.454
local terms energy: -63.768429
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -14.425
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: 10
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -198.277381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.277381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.277381 (E_RNA)
where:
Base-Base interactions energy: -122.466
where: short stacking energy: -70.157
Base-Backbone interact. energy: -0.512
local terms energy: -75.299159
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -20.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -198.813596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.813596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.813596 (E_RNA)
where:
Base-Base interactions energy: -126.634
where: short stacking energy: -71.448
Base-Backbone interact. energy: -0.124
local terms energy: -72.055729
where:
bonds (distance) C4'-P energy: -7.325
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -7.754
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: 4, replica: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -176.223259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.223259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.223259 (E_RNA)
where:
Base-Base interactions energy: -114.735
where: short stacking energy: -55.761
Base-Backbone interact. energy: 0.340
local terms energy: -61.827764
where:
bonds (distance) C4'-P energy: -8.975
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -15.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -185.427440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.427440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.427440 (E_RNA)
where:
Base-Base interactions energy: -113.762
where: short stacking energy: -63.836
Base-Backbone interact. energy: -0.311
local terms energy: -71.354150
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -9.195
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: 6, replica: 6
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -150.152215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.152215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.152215 (E_RNA)
where:
Base-Base interactions energy: -94.969
where: short stacking energy: -39.912
Base-Backbone interact. energy: -0.104
local terms energy: -55.079258
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -7.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -94.731161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.731161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.731161 (E_RNA)
where:
Base-Base interactions energy: -39.510
where: short stacking energy: -39.510
Base-Backbone interact. energy: -0.075
local terms energy: -55.145460
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -11.267
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -8.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -83.425970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.425970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.425970 (E_RNA)
where:
Base-Base interactions energy: -31.620
where: short stacking energy: -24.829
Base-Backbone interact. energy: 0.478
local terms energy: -52.283603
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -15.217
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -3.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -82.815780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.815780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.815780 (E_RNA)
where:
Base-Base interactions energy: -35.018
where: short stacking energy: -29.188
Base-Backbone interact. energy: 1.163
local terms energy: -48.959930
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -10.925
flat angles P-C4'-P energy: -10.288
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: 10, replica: 7
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -83.525135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.525135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.525135 (E_RNA)
where:
Base-Base interactions energy: -31.053
where: short stacking energy: -31.053
Base-Backbone interact. energy: -0.189
local terms energy: -52.282909
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -12.685
flat angles C4'-P-C4' energy: -9.647
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -6.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -211.544473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.544473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.544473 (E_RNA)
where:
Base-Base interactions energy: -145.020
where: short stacking energy: -53.925
Base-Backbone interact. energy: -0.677
local terms energy: -65.848040
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -14.323
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -8.194
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: 2, replica: 10
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -184.809752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.809752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.809752 (E_RNA)
where:
Base-Base interactions energy: -113.934
where: short stacking energy: -60.523
Base-Backbone interact. energy: -0.646
local terms energy: -70.229299
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -10.305
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -18.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -186.200255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.200255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.200255 (E_RNA)
where:
Base-Base interactions energy: -123.782
where: short stacking energy: -60.275
Base-Backbone interact. energy: -0.356
local terms energy: -62.062178
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -5.832
tors. eta vs tors. theta energy: -14.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -186.128724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.128724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.128724 (E_RNA)
where:
Base-Base interactions energy: -111.346
where: short stacking energy: -58.615
Base-Backbone interact. energy: -0.738
local terms energy: -74.045078
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -14.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -187.661316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.661316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.661316 (E_RNA)
where:
Base-Base interactions energy: -118.368
where: short stacking energy: -56.528
Base-Backbone interact. energy: -0.222
local terms energy: -69.070967
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -13.811
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: 6
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -159.815178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.815178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.815178 (E_RNA)
where:
Base-Base interactions energy: -105.860
where: short stacking energy: -39.783
Base-Backbone interact. energy: -0.212
local terms energy: -53.743334
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -10.449
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -9.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -94.269438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.269438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.269438 (E_RNA)
where:
Base-Base interactions energy: -39.874
where: short stacking energy: -38.358
Base-Backbone interact. energy: -0.075
local terms energy: -54.319995
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -10.621
flat angles P-C4'-P energy: -6.061
tors. eta vs tors. theta energy: -5.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -88.112377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.112377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.112377 (E_RNA)
where:
Base-Base interactions energy: -31.359
where: short stacking energy: -31.359
Base-Backbone interact. energy: 0.815
local terms energy: -57.568676
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -18.623
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -5.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -84.227242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.227242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.227242 (E_RNA)
where:
Base-Base interactions energy: -24.262
where: short stacking energy: -24.262
Base-Backbone interact. energy: 0.076
local terms energy: -60.041459
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -9.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -81.183662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.183662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.183662 (E_RNA)
where:
Base-Base interactions energy: -40.394
where: short stacking energy: -40.394
Base-Backbone interact. energy: 0.997
local terms energy: -41.786940
where:
bonds (distance) C4'-P energy: -7.189
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: 0.278
tors. eta vs tors. theta energy: -7.933
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: 2
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -214.110420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.110420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.110420 (E_RNA)
where:
Base-Base interactions energy: -144.795
where: short stacking energy: -44.819
Base-Backbone interact. energy: -0.497
local terms energy: -68.817594
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -13.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -190.442785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.442785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.442785 (E_RNA)
where:
Base-Base interactions energy: -120.092
where: short stacking energy: -72.339
Base-Backbone interact. energy: -0.721
local terms energy: -69.629599
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: -19.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -197.000682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.000682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.000682 (E_RNA)
where:
Base-Base interactions energy: -114.365
where: short stacking energy: -67.467
Base-Backbone interact. energy: -0.600
local terms energy: -82.035467
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -22.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -198.069569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.069569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.069569 (E_RNA)
where:
Base-Base interactions energy: -126.269
where: short stacking energy: -57.325
Base-Backbone interact. energy: -0.208
local terms energy: -71.592740
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -15.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -165.732243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.732243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.732243 (E_RNA)
where:
Base-Base interactions energy: -105.018
where: short stacking energy: -53.859
Base-Backbone interact. energy: -0.360
local terms energy: -60.354620
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -9.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -171.241274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.241274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.241274 (E_RNA)
where:
Base-Base interactions energy: -110.441
where: short stacking energy: -52.808
Base-Backbone interact. energy: -0.330
local terms energy: -60.470146
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -6.855
tors. eta vs tors. theta energy: -11.457
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: 1
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -93.999889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.999889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.999889 (E_RNA)
where:
Base-Base interactions energy: -34.836
where: short stacking energy: -34.836
Base-Backbone interact. energy: -2.015
local terms energy: -57.148734
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -8.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -90.516960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.516960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.516960 (E_RNA)
where:
Base-Base interactions energy: -48.994
where: short stacking energy: -30.408
Base-Backbone interact. energy: -0.184
local terms energy: -41.339139
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -11.717
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -5.379
tors. eta vs tors. theta energy: -0.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -88.716525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.716525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.716525 (E_RNA)
where:
Base-Base interactions energy: -37.522
where: short stacking energy: -34.547
Base-Backbone interact. energy: -0.185
local terms energy: -51.009634
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -9.859
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -3.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -82.267500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.267500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.267500 (E_RNA)
where:
Base-Base interactions energy: -35.482
where: short stacking energy: -20.629
Base-Backbone interact. energy: 1.825
local terms energy: -48.610359
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -9.030
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: 1, replica: 2
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -216.848231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.848231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.848231 (E_RNA)
where:
Base-Base interactions energy: -149.135
where: short stacking energy: -51.530
Base-Backbone interact. energy: -0.424
local terms energy: -67.289593
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -10.003
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: 2, replica: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -203.661149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.661149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.661149 (E_RNA)
where:
Base-Base interactions energy: -126.856
where: short stacking energy: -72.932
Base-Backbone interact. energy: -0.858
local terms energy: -75.947409
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -18.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -187.659407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.659407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.659407 (E_RNA)
where:
Base-Base interactions energy: -116.249
where: short stacking energy: -64.285
Base-Backbone interact. energy: -0.104
local terms energy: -71.306387
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -13.809
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: 5
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -188.177283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.177283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.177283 (E_RNA)
where:
Base-Base interactions energy: -117.435
where: short stacking energy: -71.170
Base-Backbone interact. energy: -0.027
local terms energy: -70.714868
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -16.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -162.349551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.349551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.349551 (E_RNA)
where:
Base-Base interactions energy: -99.691
where: short stacking energy: -48.333
Base-Backbone interact. energy: -0.408
local terms energy: -62.250797
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -9.299
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: 57
Temperature: 1.150000
Total energy: -158.614688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.614688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.614688 (E_RNA)
where:
Base-Base interactions energy: -95.853
where: short stacking energy: -53.583
Base-Backbone interact. energy: -0.158
local terms energy: -62.603698
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -10.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -87.195013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.195013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.195013 (E_RNA)
where:
Base-Base interactions energy: -39.450
where: short stacking energy: -39.450
Base-Backbone interact. energy: 0.012
local terms energy: -47.756961
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -16.179
flat angles C4'-P-C4' energy: -9.916
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -3.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -89.352840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.352840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.352840 (E_RNA)
where:
Base-Base interactions energy: -35.990
where: short stacking energy: -35.990
Base-Backbone interact. energy: -0.235
local terms energy: -53.127873
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -12.901
flat angles C4'-P-C4' energy: -9.741
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -5.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -82.288554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.288554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.288554 (E_RNA)
where:
Base-Base interactions energy: -29.444
where: short stacking energy: -28.380
Base-Backbone interact. energy: -0.265
local terms energy: -52.579591
where:
bonds (distance) C4'-P energy: -6.799
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -7.885
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: 10, replica: 8
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -77.969433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.969433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.969433 (E_RNA)
where:
Base-Base interactions energy: -30.615
where: short stacking energy: -27.294
Base-Backbone interact. energy: -0.228
local terms energy: -47.125966
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -7.328
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: -2.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -200.672210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.672210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.672210 (E_RNA)
where:
Base-Base interactions energy: -125.481
where: short stacking energy: -65.622
Base-Backbone interact. energy: -0.021
local terms energy: -75.169970
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -18.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -206.638538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.638538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.638538 (E_RNA)
where:
Base-Base interactions energy: -141.931
where: short stacking energy: -61.309
Base-Backbone interact. energy: -0.359
local terms energy: -64.349248
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -10.322
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -15.624
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: 58
Temperature: 1.000000
Total energy: -173.016337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.016337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.016337 (E_RNA)
where:
Base-Base interactions energy: -113.360
where: short stacking energy: -55.728
Base-Backbone interact. energy: -0.604
local terms energy: -59.052039
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -9.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -170.662982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.662982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.662982 (E_RNA)
where:
Base-Base interactions energy: -111.662
where: short stacking energy: -46.861
Base-Backbone interact. energy: -0.924
local terms energy: -58.076638
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -10.112
flat angles P-C4'-P energy: -11.855
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: 5, replica: 4
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -158.240629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.240629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.240629 (E_RNA)
where:
Base-Base interactions energy: -100.721
where: short stacking energy: -52.059
Base-Backbone interact. energy: -0.440
local terms energy: -57.079204
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -9.982
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -5.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -162.770240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.770240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.770240 (E_RNA)
where:
Base-Base interactions energy: -93.506
where: short stacking energy: -59.551
Base-Backbone interact. energy: -0.083
local terms energy: -69.180754
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -14.510
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: 7
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -102.218520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.218520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.218520 (E_RNA)
where:
Base-Base interactions energy: -45.458
where: short stacking energy: -45.458
Base-Backbone interact. energy: -0.084
local terms energy: -56.676704
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -10.854
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -9.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -85.272882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.272882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.272882 (E_RNA)
where:
Base-Base interactions energy: -40.504
where: short stacking energy: -27.323
Base-Backbone interact. energy: -2.972
local terms energy: -41.796442
where:
bonds (distance) C4'-P energy: -10.219
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -6.184
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -2.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -79.782793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.782793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.782793 (E_RNA)
where:
Base-Base interactions energy: -41.746
where: short stacking energy: -39.785
Base-Backbone interact. energy: -0.025
local terms energy: -38.012171
where:
bonds (distance) C4'-P energy: -9.167
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -4.238
tors. eta vs tors. theta energy: -0.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -87.776688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.776688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.776688 (E_RNA)
where:
Base-Base interactions energy: -43.994
where: short stacking energy: -27.523
Base-Backbone interact. energy: -0.318
local terms energy: -43.465479
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: 4.672
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: 1, replica: 3
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -188.054451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.054451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.054451 (E_RNA)
where:
Base-Base interactions energy: -126.334
where: short stacking energy: -62.684
Base-Backbone interact. energy: -0.183
local terms energy: -61.536999
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -14.206
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: 5
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -181.989991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.989991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.989991 (E_RNA)
where:
Base-Base interactions energy: -116.406
where: short stacking energy: -50.535
Base-Backbone interact. energy: -1.285
local terms energy: -64.298530
where:
bonds (distance) C4'-P energy: -9.864
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -11.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -197.587633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.587633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.587633 (E_RNA)
where:
Base-Base interactions energy: -138.257
where: short stacking energy: -53.982
Base-Backbone interact. energy: -0.300
local terms energy: -59.031563
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -10.180
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -12.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -163.011537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.011537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.011537 (E_RNA)
where:
Base-Base interactions energy: -100.275
where: short stacking energy: -53.204
Base-Backbone interact. energy: -0.002
local terms energy: -62.734683
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -8.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -164.938724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.938724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.938724 (E_RNA)
where:
Base-Base interactions energy: -103.569
where: short stacking energy: -51.937
Base-Backbone interact. energy: -0.119
local terms energy: -61.250762
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -11.606
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -11.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -104.878901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.878901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.878901 (E_RNA)
where:
Base-Base interactions energy: -45.398
where: short stacking energy: -45.398
Base-Backbone interact. energy: 0.467
local terms energy: -59.947684
where:
bonds (distance) C4'-P energy: -9.682
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -6.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -162.688969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.688969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.688969 (E_RNA)
where:
Base-Base interactions energy: -93.835
where: short stacking energy: -48.509
Base-Backbone interact. energy: -0.135
local terms energy: -68.719002
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -12.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -86.595340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.595340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.595340 (E_RNA)
where:
Base-Base interactions energy: -33.433
where: short stacking energy: -33.433
Base-Backbone interact. energy: -0.271
local terms energy: -52.890657
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: -3.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -82.891679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.891679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.891679 (E_RNA)
where:
Base-Base interactions energy: -31.761
where: short stacking energy: -31.059
Base-Backbone interact. energy: -0.167
local terms energy: -50.964294
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -5.539
tors. eta vs tors. theta energy: -4.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -74.785244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.785244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.785244 (E_RNA)
where:
Base-Base interactions energy: -31.144
where: short stacking energy: -25.854
Base-Backbone interact. energy: -0.068
local terms energy: -43.572422
where:
bonds (distance) C4'-P energy: -9.027
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: -2.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -190.267516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.267516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.267516 (E_RNA)
where:
Base-Base interactions energy: -118.281
where: short stacking energy: -63.289
Base-Backbone interact. energy: -0.265
local terms energy: -71.721327
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -18.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -198.845597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.845597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.845597 (E_RNA)
where:
Base-Base interactions energy: -127.487
where: short stacking energy: -62.091
Base-Backbone interact. energy: -0.136
local terms energy: -71.222525
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -13.151
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: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -177.769661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.769661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.769661 (E_RNA)
where:
Base-Base interactions energy: -108.646
where: short stacking energy: -58.416
Base-Backbone interact. energy: -0.748
local terms energy: -68.375735
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -9.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -186.385655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.385655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.385655 (E_RNA)
where:
Base-Base interactions energy: -122.044
where: short stacking energy: -47.043
Base-Backbone interact. energy: -0.183
local terms energy: -64.158647
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -11.840
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: 10
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -154.714760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.714760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.714760 (E_RNA)
where:
Base-Base interactions energy: -97.117
where: short stacking energy: -52.351
Base-Backbone interact. energy: -0.045
local terms energy: -57.552998
where:
bonds (distance) C4'-P energy: -9.346
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -4.081
tors. eta vs tors. theta energy: -12.001
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: 7
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -93.267320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.267320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.267320 (E_RNA)
where:
Base-Base interactions energy: -37.465
where: short stacking energy: -36.875
Base-Backbone interact. energy: -0.014
local terms energy: -55.788610
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -6.245
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: 6
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -152.833148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.833148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.833148 (E_RNA)
where:
Base-Base interactions energy: -87.223
where: short stacking energy: -37.524
Base-Backbone interact. energy: 0.685
local terms energy: -66.295051
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -10.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -86.117973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.117973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.117973 (E_RNA)
where:
Base-Base interactions energy: -31.864
where: short stacking energy: -18.181
Base-Backbone interact. energy: -0.260
local terms energy: -53.993852
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: 3.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -80.610726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.610726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.610726 (E_RNA)
where:
Base-Base interactions energy: -31.093
where: short stacking energy: -28.442
Base-Backbone interact. energy: -0.176
local terms energy: -49.341082
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -10.492
flat angles C4'-P-C4' energy: -12.365
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: 0.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -72.551694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.551694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.551694 (E_RNA)
where:
Base-Base interactions energy: -31.833
where: short stacking energy: -15.566
Base-Backbone interact. energy: -0.210
local terms energy: -40.507959
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -11.303
flat angles P-C4'-P energy: -4.522
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: 3
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -190.288142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.288142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.288142 (E_RNA)
where:
Base-Base interactions energy: -122.803
where: short stacking energy: -61.603
Base-Backbone interact. energy: -0.013
local terms energy: -67.472186
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -188.717240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.717240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.717240 (E_RNA)
where:
Base-Base interactions energy: -125.137
where: short stacking energy: -60.317
Base-Backbone interact. energy: -0.357
local terms energy: -63.222911
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -10.311
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -15.233
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: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -187.833421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.833421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.833421 (E_RNA)
where:
Base-Base interactions energy: -118.750
where: short stacking energy: -61.018
Base-Backbone interact. energy: -0.227
local terms energy: -68.856524
where:
bonds (distance) C4'-P energy: -9.384
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -9.059
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: 10
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -177.138971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.138971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.138971 (E_RNA)
where:
Base-Base interactions energy: -112.499
where: short stacking energy: -51.953
Base-Backbone interact. energy: -0.699
local terms energy: -63.940926
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -12.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -180.014740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.014740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.014740 (E_RNA)
where:
Base-Base interactions energy: -113.325
where: short stacking energy: -57.964
Base-Backbone interact. energy: -0.642
local terms energy: -66.047788
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -11.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -151.193033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.193033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.193033 (E_RNA)
where:
Base-Base interactions energy: -87.961
where: short stacking energy: -42.111
Base-Backbone interact. energy: -0.213
local terms energy: -63.019227
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -7.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -90.961111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.961111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.961111 (E_RNA)
where:
Base-Base interactions energy: -37.084
where: short stacking energy: -37.084
Base-Backbone interact. energy: -0.102
local terms energy: -53.775077
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -5.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -94.115365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.115365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.115365 (E_RNA)
where:
Base-Base interactions energy: -43.104
where: short stacking energy: -43.104
Base-Backbone interact. energy: -0.026
local terms energy: -50.985560
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -9.566
flat angles P-C4'-P energy: -4.223
tors. eta vs tors. theta energy: -7.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -83.216939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.216939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.216939 (E_RNA)
where:
Base-Base interactions energy: -32.568
where: short stacking energy: -26.030
Base-Backbone interact. energy: -0.339
local terms energy: -50.310080
where:
bonds (distance) C4'-P energy: -9.005
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -5.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -71.788948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.788948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.788948 (E_RNA)
where:
Base-Base interactions energy: -25.114
where: short stacking energy: -23.333
Base-Backbone interact. energy: -0.171
local terms energy: -46.503862
where:
bonds (distance) C4'-P energy: -7.110
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -3.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -186.820851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.820851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.820851 (E_RNA)
where:
Base-Base interactions energy: -119.549
where: short stacking energy: -61.653
Base-Backbone interact. energy: -1.386
local terms energy: -65.885845
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -9.051
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: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -191.173389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.173389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.173389 (E_RNA)
where:
Base-Base interactions energy: -116.510
where: short stacking energy: -65.663
Base-Backbone interact. energy: -0.003
local terms energy: -74.660488
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -19.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -191.225531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.225531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.225531 (E_RNA)
where:
Base-Base interactions energy: -114.188
where: short stacking energy: -68.912
Base-Backbone interact. energy: -0.093
local terms energy: -76.944920
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -22.394
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: 10
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -176.569994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.569994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.569994 (E_RNA)
where:
Base-Base interactions energy: -105.052
where: short stacking energy: -55.152
Base-Backbone interact. energy: -0.239
local terms energy: -71.278848
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -7.198
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: 2
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -159.878085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.878085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.878085 (E_RNA)
where:
Base-Base interactions energy: -93.707
where: short stacking energy: -56.669
Base-Backbone interact. energy: -0.090
local terms energy: -66.080788
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -11.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -150.198886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.198886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.198886 (E_RNA)
where:
Base-Base interactions energy: -98.686
where: short stacking energy: -48.651
Base-Backbone interact. energy: -0.009
local terms energy: -51.504498
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -2.096
tors. eta vs tors. theta energy: -9.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -99.194258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.194258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.194258 (E_RNA)
where:
Base-Base interactions energy: -34.431
where: short stacking energy: -31.237
Base-Backbone interact. energy: -0.096
local terms energy: -64.666704
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -8.931
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: 7
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -77.904032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.904032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.904032 (E_RNA)
where:
Base-Base interactions energy: -24.619
where: short stacking energy: -21.418
Base-Backbone interact. energy: -0.026
local terms energy: -53.259557
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -8.460
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -4.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -80.872961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.872961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.872961 (E_RNA)
where:
Base-Base interactions energy: -32.769
where: short stacking energy: -25.956
Base-Backbone interact. energy: -0.141
local terms energy: -47.962758
where:
bonds (distance) C4'-P energy: -6.763
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -5.745
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -7.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -80.150790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.150790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.150790 (E_RNA)
where:
Base-Base interactions energy: -36.205
where: short stacking energy: -23.688
Base-Backbone interact. energy: 0.329
local terms energy: -44.274586
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -11.672
flat angles P-C4'-P energy: -5.731
tors. eta vs tors. theta energy: 2.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -185.206836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.206836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.206836 (E_RNA)
where:
Base-Base interactions energy: -111.666
where: short stacking energy: -67.821
Base-Backbone interact. energy: 0.403
local terms energy: -73.943883
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -10.698
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: 2, replica: 4
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -204.700216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.700216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.700216 (E_RNA)
where:
Base-Base interactions energy: -132.142
where: short stacking energy: -71.385
Base-Backbone interact. energy: -0.135
local terms energy: -72.423275
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -4.968
tors. eta vs tors. theta energy: -16.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -194.065092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.065092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.065092 (E_RNA)
where:
Base-Base interactions energy: -116.947
where: short stacking energy: -71.393
Base-Backbone interact. energy: -0.009
local terms energy: -77.109062
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -16.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -157.096875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.096875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.096875 (E_RNA)
where:
Base-Base interactions energy: -97.589
where: short stacking energy: -47.176
Base-Backbone interact. energy: -0.196
local terms energy: -59.311547
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -5.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -164.591951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.591951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.591951 (E_RNA)
where:
Base-Base interactions energy: -115.449
where: short stacking energy: -42.202
Base-Backbone interact. energy: -0.125
local terms energy: -49.017957
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -12.097
flat angles C4'-P-C4' energy: -9.205
flat angles P-C4'-P energy: -4.481
tors. eta vs tors. theta energy: -11.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -145.347438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.347438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.347438 (E_RNA)
where:
Base-Base interactions energy: -85.697
where: short stacking energy: -50.650
Base-Backbone interact. energy: 1.711
local terms energy: -61.361202
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -13.388
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -10.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -92.292196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.292196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.292196 (E_RNA)
where:
Base-Base interactions energy: -36.652
where: short stacking energy: -24.512
Base-Backbone interact. energy: -0.143
local terms energy: -55.496752
where:
bonds (distance) C4'-P energy: -10.237
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -9.799
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: 8, replica: 1
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -82.826372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.826372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.826372 (E_RNA)
where:
Base-Base interactions energy: -36.603
where: short stacking energy: -30.918
Base-Backbone interact. energy: -0.116
local terms energy: -46.106884
where:
bonds (distance) C4'-P energy: -7.222
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -10.051
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -2.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -83.499887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.499887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.499887 (E_RNA)
where:
Base-Base interactions energy: -28.661
where: short stacking energy: -27.723
Base-Backbone interact. energy: -0.376
local terms energy: -54.462488
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -6.036
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: 8
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -78.527162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.527162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.527162 (E_RNA)
where:
Base-Base interactions energy: -25.182
where: short stacking energy: -25.382
Base-Backbone interact. energy: -0.138
local terms energy: -53.207333
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -13.347
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -1.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -209.801540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.801540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.801540 (E_RNA)
where:
Base-Base interactions energy: -131.847
where: short stacking energy: -71.500
Base-Backbone interact. energy: -1.310
local terms energy: -76.644955
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -21.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -183.052721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.052721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.052721 (E_RNA)
where:
Base-Base interactions energy: -112.805
where: short stacking energy: -61.197
Base-Backbone interact. energy: -0.037
local terms energy: -70.210584
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -12.355
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: 3
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -181.274307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.274307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.274307 (E_RNA)
where:
Base-Base interactions energy: -113.490
where: short stacking energy: -52.094
Base-Backbone interact. energy: -0.120
local terms energy: -67.664219
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -11.041
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: 2
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -155.753380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.753380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.753380 (E_RNA)
where:
Base-Base interactions energy: -93.119
where: short stacking energy: -50.335
Base-Backbone interact. energy: -0.101
local terms energy: -62.533617
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -11.342
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: 10
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -168.576628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.576628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.576628 (E_RNA)
where:
Base-Base interactions energy: -111.405
where: short stacking energy: -49.453
Base-Backbone interact. energy: -1.756
local terms energy: -55.415114
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -11.562
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -5.775
tors. eta vs tors. theta energy: -10.667
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: 6, replica: 6
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -147.595558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.595558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.595558 (E_RNA)
where:
Base-Base interactions energy: -83.410
where: short stacking energy: -52.570
Base-Backbone interact. energy: -0.001
local terms energy: -64.184167
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -12.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -99.536267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.536267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.536267 (E_RNA)
where:
Base-Base interactions energy: -37.697
where: short stacking energy: -38.202
Base-Backbone interact. energy: 0.660
local terms energy: -62.499618
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -7.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -91.055531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.055531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.055531 (E_RNA)
where:
Base-Base interactions energy: -36.859
where: short stacking energy: -36.859
Base-Backbone interact. energy: -0.118
local terms energy: -54.078233
where:
bonds (distance) C4'-P energy: -7.408
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -11.387
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: 9, replica: 8
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -79.902456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.902456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.902456 (E_RNA)
where:
Base-Base interactions energy: -35.009
where: short stacking energy: -15.365
Base-Backbone interact. energy: -0.137
local terms energy: -44.755753
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: 2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -85.101451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.101451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.101451 (E_RNA)
where:
Base-Base interactions energy: -29.421
where: short stacking energy: -29.421
Base-Backbone interact. energy: -0.049
local terms energy: -55.630947
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -9.382
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: 1, replica: 4
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -206.924413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.924413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.924413 (E_RNA)
where:
Base-Base interactions energy: -131.185
where: short stacking energy: -78.589
Base-Backbone interact. energy: -0.005
local terms energy: -75.735034
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -9.964
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: 2, replica: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -195.095573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.095573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.095573 (E_RNA)
where:
Base-Base interactions energy: -121.036
where: short stacking energy: -61.986
Base-Backbone interact. energy: -0.119
local terms energy: -73.939978
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -17.304
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: 5
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -190.215853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.215853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.215853 (E_RNA)
where:
Base-Base interactions energy: -111.444
where: short stacking energy: -60.089
Base-Backbone interact. energy: -0.846
local terms energy: -77.925426
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -17.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -184.394167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.394167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.394167 (E_RNA)
where:
Base-Base interactions energy: -116.317
where: short stacking energy: -57.884
Base-Backbone interact. energy: -0.811
local terms energy: -67.266401
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -16.323
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -5.636
tors. eta vs tors. theta energy: -17.077
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: 2
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -146.558294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.558294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.558294 (E_RNA)
where:
Base-Base interactions energy: -92.836
where: short stacking energy: -46.131
Base-Backbone interact. energy: -0.227
local terms energy: -53.495613
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -12.270
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -7.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -169.289561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.289561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.289561 (E_RNA)
where:
Base-Base interactions energy: -103.314
where: short stacking energy: -51.475
Base-Backbone interact. energy: -0.215
local terms energy: -65.760732
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -11.017
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -14.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -95.534730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.534730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.534730 (E_RNA)
where:
Base-Base interactions energy: -41.137
where: short stacking energy: -42.137
Base-Backbone interact. energy: -0.372
local terms energy: -54.025903
where:
bonds (distance) C4'-P energy: -9.620
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -6.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -89.400035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.400035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.400035 (E_RNA)
where:
Base-Base interactions energy: -36.919
where: short stacking energy: -24.165
Base-Backbone interact. energy: -0.010
local terms energy: -52.471531
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -7.584
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: 9, replica: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -88.600674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.600674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.600674 (E_RNA)
where:
Base-Base interactions energy: -39.626
where: short stacking energy: -39.626
Base-Backbone interact. energy: -0.007
local terms energy: -48.968047
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -8.915
flat angles C4'-P-C4' energy: -10.247
flat angles P-C4'-P energy: -5.068
tors. eta vs tors. theta energy: -12.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -80.038280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.038280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.038280 (E_RNA)
where:
Base-Base interactions energy: -26.606
where: short stacking energy: -26.389
Base-Backbone interact. energy: -0.273
local terms energy: -53.159139
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: 0.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -198.627549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.627549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.627549 (E_RNA)
where:
Base-Base interactions energy: -122.913
where: short stacking energy: -66.105
Base-Backbone interact. energy: -0.935
local terms energy: -74.780334
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -12.097
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -20.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -186.393794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.393794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.393794 (E_RNA)
where:
Base-Base interactions energy: -114.045
where: short stacking energy: -56.119
Base-Backbone interact. energy: -0.361
local terms energy: -71.987748
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -13.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -190.084369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.084369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.084369 (E_RNA)
where:
Base-Base interactions energy: -118.913
where: short stacking energy: -59.184
Base-Backbone interact. energy: -0.030
local terms energy: -71.141964
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -18.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -184.396858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.396858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.396858 (E_RNA)
where:
Base-Base interactions energy: -118.141
where: short stacking energy: -54.575
Base-Backbone interact. energy: -0.011
local terms energy: -66.245107
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -12.685
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: 5, replica: 6
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -162.365436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.365436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.365436 (E_RNA)
where:
Base-Base interactions energy: -94.984
where: short stacking energy: -53.793
Base-Backbone interact. energy: 1.000
local terms energy: -68.381359
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -15.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -154.017693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.017693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.017693 (E_RNA)
where:
Base-Base interactions energy: -95.631
where: short stacking energy: -43.220
Base-Backbone interact. energy: -0.261
local terms energy: -58.125833
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -4.835
tors. eta vs tors. theta energy: -10.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -91.842893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.842893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.842893 (E_RNA)
where:
Base-Base interactions energy: -43.043
where: short stacking energy: -35.429
Base-Backbone interact. energy: 0.811
local terms energy: -49.610738
where:
bonds (distance) C4'-P energy: -9.474
bonds (distance) P-C4' energy: -7.496
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -7.213
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: 8, replica: 1
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -91.218103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.218103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.218103 (E_RNA)
where:
Base-Base interactions energy: -38.152
where: short stacking energy: -37.771
Base-Backbone interact. energy: -0.080
local terms energy: -52.986415
where:
bonds (distance) C4'-P energy: -4.886
bonds (distance) P-C4' energy: -13.252
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -7.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -91.345212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.345212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.345212 (E_RNA)
where:
Base-Base interactions energy: -35.223
where: short stacking energy: -35.223
Base-Backbone interact. energy: -0.001
local terms energy: -56.121321
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -7.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -77.925779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.925779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.925779 (E_RNA)
where:
Base-Base interactions energy: -23.462
where: short stacking energy: -21.159
Base-Backbone interact. energy: -0.040
local terms energy: -54.423997
where:
bonds (distance) C4'-P energy: -9.677
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -5.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -195.587595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.587595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.587595 (E_RNA)
where:
Base-Base interactions energy: -116.676
where: short stacking energy: -60.421
Base-Backbone interact. energy: -0.375
local terms energy: -78.536622
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -17.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -204.018510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.018510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.018510 (E_RNA)
where:
Base-Base interactions energy: -128.632
where: short stacking energy: -65.772
Base-Backbone interact. energy: -0.097
local terms energy: -75.289751
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -12.646
flat angles P-C4'-P energy: -13.608
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: 3, replica: 10
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -194.599532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.599532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.599532 (E_RNA)
where:
Base-Base interactions energy: -122.445
where: short stacking energy: -56.252
Base-Backbone interact. energy: -0.002
local terms energy: -72.153022
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -12.785
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: 4, replica: 6
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -180.842563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.842563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.842563 (E_RNA)
where:
Base-Base interactions energy: -119.008
where: short stacking energy: -55.450
Base-Backbone interact. energy: -0.113
local terms energy: -61.721134
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -10.845
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: 5
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -179.192238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.192238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.192238 (E_RNA)
where:
Base-Base interactions energy: -102.889
where: short stacking energy: -56.977
Base-Backbone interact. energy: -0.032
local terms energy: -76.271074
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -19.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -156.571402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.571402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.571402 (E_RNA)
where:
Base-Base interactions energy: -94.582
where: short stacking energy: -49.977
Base-Backbone interact. energy: -0.435
local terms energy: -61.554819
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -9.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -139.526701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.526701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.526701 (E_RNA)
where:
Base-Base interactions energy: -84.201
where: short stacking energy: -41.441
Base-Backbone interact. energy: 0.026
local terms energy: -55.350844
where:
bonds (distance) C4'-P energy: -6.309
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -12.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -82.595026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.595026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.595026 (E_RNA)
where:
Base-Base interactions energy: -26.533
where: short stacking energy: -20.856
Base-Backbone interact. energy: -0.018
local terms energy: -56.044485
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -6.952
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: 9, replica: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -78.687275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.687275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.687275 (E_RNA)
where:
Base-Base interactions energy: -36.304
where: short stacking energy: -34.631
Base-Backbone interact. energy: -0.590
local terms energy: -41.793740
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -9.462
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -4.993
tors. eta vs tors. theta energy: -4.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -75.208815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.208815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.208815 (E_RNA)
where:
Base-Base interactions energy: -23.992
where: short stacking energy: -20.160
Base-Backbone interact. energy: -1.637
local terms energy: -49.579617
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: 2.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -203.687925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.687925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.687925 (E_RNA)
where:
Base-Base interactions energy: -127.242
where: short stacking energy: -68.809
Base-Backbone interact. energy: -0.338
local terms energy: -76.108311
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -18.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -199.095291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.095291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.095291 (E_RNA)
where:
Base-Base interactions energy: -122.489
where: short stacking energy: -74.734
Base-Backbone interact. energy: -0.045
local terms energy: -76.561171
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -19.443
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: 6
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -189.675132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.675132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.675132 (E_RNA)
where:
Base-Base interactions energy: -119.262
where: short stacking energy: -62.525
Base-Backbone interact. energy: -0.837
local terms energy: -69.576021
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -14.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -185.620374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.620374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.620374 (E_RNA)
where:
Base-Base interactions energy: -112.877
where: short stacking energy: -58.123
Base-Backbone interact. energy: -0.191
local terms energy: -72.552087
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -16.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -185.062783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.062783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.062783 (E_RNA)
where:
Base-Base interactions energy: -109.426
where: short stacking energy: -62.075
Base-Backbone interact. energy: 0.183
local terms energy: -75.819900
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: -22.193
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: 5
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -156.300104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.300104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.300104 (E_RNA)
where:
Base-Base interactions energy: -96.406
where: short stacking energy: -50.349
Base-Backbone interact. energy: -0.138
local terms energy: -59.755689
where:
bonds (distance) C4'-P energy: -10.874
bonds (distance) P-C4' energy: -11.154
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -9.624
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: 8
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -125.275245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.275245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.275245 (E_RNA)
where:
Base-Base interactions energy: -68.212
where: short stacking energy: -35.314
Base-Backbone interact. energy: -0.843
local terms energy: -56.219560
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -11.179
flat angles P-C4'-P energy: -10.780
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: 1
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -93.241868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.241868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.241868 (E_RNA)
where:
Base-Base interactions energy: -44.341
where: short stacking energy: -31.707
Base-Backbone interact. energy: 0.219
local terms energy: -49.120616
where:
bonds (distance) C4'-P energy: -9.773
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -2.285
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: 7
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -85.702114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.702114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.702114 (E_RNA)
where:
Base-Base interactions energy: -30.423
where: short stacking energy: -28.421
Base-Backbone interact. energy: -0.102
local terms energy: -55.177018
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -13.717
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -6.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -67.728625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.728625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.728625 (E_RNA)
where:
Base-Base interactions energy: -29.961
where: short stacking energy: -16.989
Base-Backbone interact. energy: -0.133
local terms energy: -37.634297
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -9.612
flat angles P-C4'-P energy: -4.194
tors. eta vs tors. theta energy: 3.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -195.775052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.775052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.775052 (E_RNA)
where:
Base-Base interactions energy: -116.482
where: short stacking energy: -54.842
Base-Backbone interact. energy: -0.726
local terms energy: -78.567170
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -18.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -194.673487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.673487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.673487 (E_RNA)
where:
Base-Base interactions energy: -123.384
where: short stacking energy: -57.150
Base-Backbone interact. energy: -0.560
local terms energy: -70.730001
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -13.940
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: 3
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -182.822343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.822343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.822343 (E_RNA)
where:
Base-Base interactions energy: -110.052
where: short stacking energy: -64.735
Base-Backbone interact. energy: 0.414
local terms energy: -73.184677
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -15.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -183.293225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.293225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.293225 (E_RNA)
where:
Base-Base interactions energy: -116.849
where: short stacking energy: -66.848
Base-Backbone interact. energy: -0.601
local terms energy: -65.843714
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -14.818
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: 10
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -166.896811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.896811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.896811 (E_RNA)
where:
Base-Base interactions energy: -111.316
where: short stacking energy: -60.347
Base-Backbone interact. energy: 1.693
local terms energy: -57.273690
where:
bonds (distance) C4'-P energy: -7.834
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -5.794
tors. eta vs tors. theta energy: -13.516
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: 8
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -140.378818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.378818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.378818 (E_RNA)
where:
Base-Base interactions energy: -89.922
where: short stacking energy: -36.944
Base-Backbone interact. energy: -0.635
local terms energy: -49.821773
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -5.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -163.501868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.501868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.501868 (E_RNA)
where:
Base-Base interactions energy: -106.282
where: short stacking energy: -43.453
Base-Backbone interact. energy: -0.982
local terms energy: -56.237904
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -5.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -93.280470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.280470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.280470 (E_RNA)
where:
Base-Base interactions energy: -47.563
where: short stacking energy: -30.871
Base-Backbone interact. energy: -0.129
local terms energy: -45.587731
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -9.265
flat angles P-C4'-P energy: -3.124
tors. eta vs tors. theta energy: -4.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -98.601451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.601451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.601451 (E_RNA)
where:
Base-Base interactions energy: -45.891
where: short stacking energy: -36.668
Base-Backbone interact. energy: -0.003
local terms energy: -52.708041
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -9.451
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -8.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -78.298179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.298179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.298179 (E_RNA)
where:
Base-Base interactions energy: -32.185
where: short stacking energy: -32.008
Base-Backbone interact. energy: 0.038
local terms energy: -46.151052
where:
bonds (distance) C4'-P energy: -9.168
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -4.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -198.817836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.817836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.817836 (E_RNA)
where:
Base-Base interactions energy: -123.116
where: short stacking energy: -73.192
Base-Backbone interact. energy: -0.165
local terms energy: -75.536446
where:
bonds (distance) C4'-P energy: -11.724
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -13.700
tors. eta vs tors. theta energy: -18.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -191.428744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.428744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.428744 (E_RNA)
where:
Base-Base interactions energy: -118.458
where: short stacking energy: -71.035
Base-Backbone interact. energy: -0.011
local terms energy: -72.959792
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -15.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -191.568621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.568621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.568621 (E_RNA)
where:
Base-Base interactions energy: -118.793
where: short stacking energy: -63.659
Base-Backbone interact. energy: -0.473
local terms energy: -72.302951
where:
bonds (distance) C4'-P energy: -8.597
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -19.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -157.549027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.549027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.549027 (E_RNA)
where:
Base-Base interactions energy: -91.317
where: short stacking energy: -48.296
Base-Backbone interact. energy: -0.112
local terms energy: -66.119885
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -9.739
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: 5, replica: 10
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -157.547356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.547356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.547356 (E_RNA)
where:
Base-Base interactions energy: -98.475
where: short stacking energy: -46.201
Base-Backbone interact. energy: -0.104
local terms energy: -58.968447
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -10.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -102.310423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.310423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.310423 (E_RNA)
where:
Base-Base interactions energy: -42.315
where: short stacking energy: -28.272
Base-Backbone interact. energy: -0.029
local terms energy: -59.966631
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -4.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -153.548658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.548658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.548658 (E_RNA)
where:
Base-Base interactions energy: -99.928
where: short stacking energy: -52.318
Base-Backbone interact. energy: -0.429
local terms energy: -53.192050
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -8.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -99.963186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.963186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.963186 (E_RNA)
where:
Base-Base interactions energy: -40.969
where: short stacking energy: -32.768
Base-Backbone interact. energy: -0.536
local terms energy: -58.457780
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -11.150
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -8.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -87.408160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.408160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.408160 (E_RNA)
where:
Base-Base interactions energy: -30.682
where: short stacking energy: -27.462
Base-Backbone interact. energy: -0.210
local terms energy: -56.516179
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -1.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -79.909891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.909891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.909891 (E_RNA)
where:
Base-Base interactions energy: -29.042
where: short stacking energy: -24.160
Base-Backbone interact. energy: 0.271
local terms energy: -51.138720
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -9.529
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -0.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -205.061537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.061537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.061537 (E_RNA)
where:
Base-Base interactions energy: -125.484
where: short stacking energy: -75.458
Base-Backbone interact. energy: -0.055
local terms energy: -79.522748
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -7.995
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: 2, replica: 3
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -186.103746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.103746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.103746 (E_RNA)
where:
Base-Base interactions energy: -116.193
where: short stacking energy: -61.319
Base-Backbone interact. energy: -0.167
local terms energy: -69.743924
where:
bonds (distance) C4'-P energy: -9.946
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -12.288
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: 3, replica: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -180.247679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.247679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.247679 (E_RNA)
where:
Base-Base interactions energy: -106.172
where: short stacking energy: -65.808
Base-Backbone interact. energy: -0.024
local terms energy: -74.050871
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -14.768
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: 10
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -180.844404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.844404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.844404 (E_RNA)
where:
Base-Base interactions energy: -109.758
where: short stacking energy: -58.940
Base-Backbone interact. energy: -0.830
local terms energy: -70.257184
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -18.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -154.744816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.744816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.744816 (E_RNA)
where:
Base-Base interactions energy: -85.469
where: short stacking energy: -42.079
Base-Backbone interact. energy: 0.143
local terms energy: -69.418496
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -10.009
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: 5
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -157.647580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.647580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.647580 (E_RNA)
where:
Base-Base interactions energy: -97.986
where: short stacking energy: -47.488
Base-Backbone interact. energy: -0.910
local terms energy: -58.751492
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -7.927
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: 8
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -105.683905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.683905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.683905 (E_RNA)
where:
Base-Base interactions energy: -53.390
where: short stacking energy: -40.323
Base-Backbone interact. energy: -0.085
local terms energy: -52.208416
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -5.935
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: 8, replica: 1
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -86.648615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.648615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.648615 (E_RNA)
where:
Base-Base interactions energy: -37.602
where: short stacking energy: -37.602
Base-Backbone interact. energy: -0.124
local terms energy: -48.923009
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -12.332
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -3.891
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: 7
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -86.935449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.935449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.935449 (E_RNA)
where:
Base-Base interactions energy: -40.008
where: short stacking energy: -40.008
Base-Backbone interact. energy: -0.156
local terms energy: -46.771726
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -2.487
flat angles P-C4'-P energy: -10.069
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: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -74.631574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.631574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.631574 (E_RNA)
where:
Base-Base interactions energy: -42.357
where: short stacking energy: -25.772
Base-Backbone interact. energy: 0.197
local terms energy: -32.471580
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -8.141
flat angles C4'-P-C4' energy: -3.184
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -0.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -193.060086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.060086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.060086 (E_RNA)
where:
Base-Base interactions energy: -123.331
where: short stacking energy: -61.773
Base-Backbone interact. energy: -0.739
local terms energy: -68.990338
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -12.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -196.803535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.803535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.803535 (E_RNA)
where:
Base-Base interactions energy: -118.586
where: short stacking energy: -64.875
Base-Backbone interact. energy: 0.823
local terms energy: -79.041172
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -20.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -180.831345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.831345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.831345 (E_RNA)
where:
Base-Base interactions energy: -114.888
where: short stacking energy: -65.973
Base-Backbone interact. energy: -1.186
local terms energy: -64.757325
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -12.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -176.873642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.873642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.873642 (E_RNA)
where:
Base-Base interactions energy: -112.436
where: short stacking energy: -59.087
Base-Backbone interact. energy: -0.670
local terms energy: -63.767886
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -11.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -170.500544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.500544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.500544 (E_RNA)
where:
Base-Base interactions energy: -104.940
where: short stacking energy: -56.214
Base-Backbone interact. energy: -0.003
local terms energy: -65.557900
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -14.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -145.444577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.444577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.444577 (E_RNA)
where:
Base-Base interactions energy: -92.751
where: short stacking energy: -43.030
Base-Backbone interact. energy: -0.147
local terms energy: -52.546491
where:
bonds (distance) C4'-P energy: -9.193
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -93.096268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.096268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.096268 (E_RNA)
where:
Base-Base interactions energy: -32.727
where: short stacking energy: -32.550
Base-Backbone interact. energy: -0.377
local terms energy: -59.992314
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -4.839
tors. eta vs tors. theta energy: -6.812
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: 1
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -84.759588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.759588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.759588 (E_RNA)
where:
Base-Base interactions energy: -33.909
where: short stacking energy: -33.909
Base-Backbone interact. energy: -0.092
local terms energy: -50.758243
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -11.295
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -7.422
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: 9
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -80.937161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.937161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.937161 (E_RNA)
where:
Base-Base interactions energy: -34.247
where: short stacking energy: -25.109
Base-Backbone interact. energy: 0.005
local terms energy: -46.694395
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: 1.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -83.900108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.900108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.900108 (E_RNA)
where:
Base-Base interactions energy: -24.731
where: short stacking energy: -24.288
Base-Backbone interact. energy: -1.144
local terms energy: -58.024950
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -3.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -201.066877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.066877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.066877 (E_RNA)
where:
Base-Base interactions energy: -126.168
where: short stacking energy: -65.009
Base-Backbone interact. energy: -0.905
local terms energy: -73.994048
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -17.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -200.454532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.454532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.454532 (E_RNA)
where:
Base-Base interactions energy: -123.980
where: short stacking energy: -64.862
Base-Backbone interact. energy: -0.464
local terms energy: -76.011163
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -20.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -185.004670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.004670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.004670 (E_RNA)
where:
Base-Base interactions energy: -107.948
where: short stacking energy: -64.121
Base-Backbone interact. energy: -0.070
local terms energy: -76.986597
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -16.099
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: 4, replica: 10
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -162.251553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.251553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.251553 (E_RNA)
where:
Base-Base interactions energy: -93.987
where: short stacking energy: -46.296
Base-Backbone interact. energy: -0.668
local terms energy: -67.596462
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -10.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -166.588686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.588686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.588686 (E_RNA)
where:
Base-Base interactions energy: -95.530
where: short stacking energy: -57.157
Base-Backbone interact. energy: -0.234
local terms energy: -70.824333
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -17.279
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: 8
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -99.032881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.032881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.032881 (E_RNA)
where:
Base-Base interactions energy: -55.030
where: short stacking energy: -32.728
Base-Backbone interact. energy: -0.277
local terms energy: -43.725851
where:
bonds (distance) C4'-P energy: -9.696
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -10.070
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: 1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -121.013598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.013598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.013598 (E_RNA)
where:
Base-Base interactions energy: -65.296
where: short stacking energy: -35.364
Base-Backbone interact. energy: -0.281
local terms energy: -55.436645
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -3.611
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: 8, replica: 9
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -97.795843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.795843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.795843 (E_RNA)
where:
Base-Base interactions energy: -46.312
where: short stacking energy: -33.134
Base-Backbone interact. energy: -0.168
local terms energy: -51.316074
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -9.302
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -6.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -76.099556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.099556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.099556 (E_RNA)
where:
Base-Base interactions energy: -23.326
where: short stacking energy: -23.839
Base-Backbone interact. energy: -0.267
local terms energy: -52.506315
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: 1.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -72.692196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.692196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.692196 (E_RNA)
where:
Base-Base interactions energy: -23.823
where: short stacking energy: -23.074
Base-Backbone interact. energy: -0.072
local terms energy: -48.797509
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: 2.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -212.252008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.252008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.252008 (E_RNA)
where:
Base-Base interactions energy: -133.262
where: short stacking energy: -72.711
Base-Backbone interact. energy: -0.836
local terms energy: -78.153504
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -20.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -194.739991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.739991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.739991 (E_RNA)
where:
Base-Base interactions energy: -125.075
where: short stacking energy: -66.891
Base-Backbone interact. energy: -0.211
local terms energy: -69.454334
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -11.971
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -8.909
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: 3, replica: 4
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -183.747277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.747277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.747277 (E_RNA)
where:
Base-Base interactions energy: -116.970
where: short stacking energy: -50.675
Base-Backbone interact. energy: -0.270
local terms energy: -66.506884
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -12.786
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: 4, replica: 10
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -186.815650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.815650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.815650 (E_RNA)
where:
Base-Base interactions energy: -123.194
where: short stacking energy: -55.752
Base-Backbone interact. energy: -0.904
local terms energy: -62.717717
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -13.284
tors. eta vs tors. theta energy: -9.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -170.237403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.237403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.237403 (E_RNA)
where:
Base-Base interactions energy: -115.192
where: short stacking energy: -50.492
Base-Backbone interact. energy: -0.717
local terms energy: -54.327858
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -12.347
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -2.472
tors. eta vs tors. theta energy: -14.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -99.607683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.607683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.607683 (E_RNA)
where:
Base-Base interactions energy: -34.849
where: short stacking energy: -34.849
Base-Backbone interact. energy: -0.134
local terms energy: -64.624723
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -9.592
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: 9
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -81.053840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.053840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.053840 (E_RNA)
where:
Base-Base interactions energy: -35.350
where: short stacking energy: -34.986
Base-Backbone interact. energy: 0.736
local terms energy: -46.439818
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -5.090
tors. eta vs tors. theta energy: -3.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -86.904471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.904471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.904471 (E_RNA)
where:
Base-Base interactions energy: -35.525
where: short stacking energy: -26.846
Base-Backbone interact. energy: -0.752
local terms energy: -50.627207
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -1.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -80.846117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.846117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.846117 (E_RNA)
where:
Base-Base interactions energy: -36.522
where: short stacking energy: -34.692
Base-Backbone interact. energy: 0.006
local terms energy: -44.329822
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -10.142
flat angles C4'-P-C4' energy: -6.966
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -4.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -79.843663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.843663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.843663 (E_RNA)
where:
Base-Base interactions energy: -32.340
where: short stacking energy: -32.340
Base-Backbone interact. energy: 0.808
local terms energy: -48.311612
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -2.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -208.120558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.120558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.120558 (E_RNA)
where:
Base-Base interactions energy: -123.535
where: short stacking energy: -68.429
Base-Backbone interact. energy: -0.042
local terms energy: -84.544100
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -23.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -194.376389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.376389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.376389 (E_RNA)
where:
Base-Base interactions energy: -121.491
where: short stacking energy: -62.742
Base-Backbone interact. energy: -0.001
local terms energy: -72.883802
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -12.136
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -21.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -185.632483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.632483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.632483 (E_RNA)
where:
Base-Base interactions energy: -124.021
where: short stacking energy: -43.850
Base-Backbone interact. energy: -0.385
local terms energy: -61.226360
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -9.565
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: 4, replica: 10
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -171.957616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.957616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.957616 (E_RNA)
where:
Base-Base interactions energy: -102.121
where: short stacking energy: -54.104
Base-Backbone interact. energy: -0.738
local terms energy: -69.098465
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -13.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -145.609686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.609686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.609686 (E_RNA)
where:
Base-Base interactions energy: -87.493
where: short stacking energy: -41.584
Base-Backbone interact. energy: -0.103
local terms energy: -58.013657
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -17.159
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -5.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -103.352833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.352833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.352833 (E_RNA)
where:
Base-Base interactions energy: -51.251
where: short stacking energy: -48.873
Base-Backbone interact. energy: -0.013
local terms energy: -52.088248
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -9.949
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -10.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -92.703392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.703392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.703392 (E_RNA)
where:
Base-Base interactions energy: -35.502
where: short stacking energy: -29.270
Base-Backbone interact. energy: -0.137
local terms energy: -57.064535
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -10.810
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -4.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -90.959854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.959854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.959854 (E_RNA)
where:
Base-Base interactions energy: -39.106
where: short stacking energy: -39.106
Base-Backbone interact. energy: -0.388
local terms energy: -51.465714
where:
bonds (distance) C4'-P energy: -9.221
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -6.933
tors. eta vs tors. theta energy: -8.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -79.636453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.636453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.636453 (E_RNA)
where:
Base-Base interactions energy: -42.236
where: short stacking energy: -31.717
Base-Backbone interact. energy: -0.193
local terms energy: -37.208035
where:
bonds (distance) C4'-P energy: -8.915
bonds (distance) P-C4' energy: -10.923
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -6.958
tors. eta vs tors. theta energy: 0.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -76.283195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.283195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.283195 (E_RNA)
where:
Base-Base interactions energy: -32.829
where: short stacking energy: -23.896
Base-Backbone interact. energy: -0.460
local terms energy: -42.993566
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -10.181
flat angles P-C4'-P energy: -7.655
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: 1, replica: 6
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -205.381672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.381672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.381672 (E_RNA)
where:
Base-Base interactions energy: -122.451
where: short stacking energy: -67.044
Base-Backbone interact. energy: -0.008
local terms energy: -82.922530
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -15.397
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -21.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -196.035713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.035713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.035713 (E_RNA)
where:
Base-Base interactions energy: -119.461
where: short stacking energy: -67.485
Base-Backbone interact. energy: -1.357
local terms energy: -75.217720
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -16.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -178.760412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.760412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.760412 (E_RNA)
where:
Base-Base interactions energy: -108.366
where: short stacking energy: -58.245
Base-Backbone interact. energy: -0.264
local terms energy: -70.130048
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -9.398
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: 4, replica: 4
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -186.012372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.012372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.012372 (E_RNA)
where:
Base-Base interactions energy: -112.496
where: short stacking energy: -49.925
Base-Backbone interact. energy: -0.128
local terms energy: -73.388671
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -19.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -138.903820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.903820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.903820 (E_RNA)
where:
Base-Base interactions energy: -84.068
where: short stacking energy: -44.096
Base-Backbone interact. energy: -0.168
local terms energy: -54.668013
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -2.757
tors. eta vs tors. theta energy: -11.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -104.634400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.634400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.634400 (E_RNA)
where:
Base-Base interactions energy: -42.060
where: short stacking energy: -34.187
Base-Backbone interact. energy: -0.161
local terms energy: -62.413018
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -5.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -97.201606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.201606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.201606 (E_RNA)
where:
Base-Base interactions energy: -43.076
where: short stacking energy: -37.974
Base-Backbone interact. energy: -0.078
local terms energy: -54.047683
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -9.760
flat angles P-C4'-P energy: -10.016
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: 8, replica: 8
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -82.815467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.815467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.815467 (E_RNA)
where:
Base-Base interactions energy: -31.003
where: short stacking energy: -29.362
Base-Backbone interact. energy: -0.037
local terms energy: -51.774933
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -1.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -82.172191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.172191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.172191 (E_RNA)
where:
Base-Base interactions energy: -37.343
where: short stacking energy: -37.343
Base-Backbone interact. energy: -0.088
local terms energy: -44.740916
where:
bonds (distance) C4'-P energy: -5.651
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -7.652
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -5.140
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: 10, replica: 2
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -84.723037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.723037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.723037 (E_RNA)
where:
Base-Base interactions energy: -35.246
where: short stacking energy: -30.313
Base-Backbone interact. energy: -1.436
local terms energy: -48.040803
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -0.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -201.374960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.374960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.374960 (E_RNA)
where:
Base-Base interactions energy: -124.627
where: short stacking energy: -69.851
Base-Backbone interact. energy: -0.052
local terms energy: -76.695967
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -20.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -194.055014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.055014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.055014 (E_RNA)
where:
Base-Base interactions energy: -120.074
where: short stacking energy: -58.570
Base-Backbone interact. energy: -0.020
local terms energy: -73.960813
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -16.710
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: 10
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -189.614856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.614856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.614856 (E_RNA)
where:
Base-Base interactions energy: -121.219
where: short stacking energy: -64.041
Base-Backbone interact. energy: -0.846
local terms energy: -67.549635
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -14.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -195.585048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.585048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.585048 (E_RNA)
where:
Base-Base interactions energy: -118.147
where: short stacking energy: -66.906
Base-Backbone interact. energy: -0.038
local terms energy: -77.400116
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -10.583
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: 5, replica: 5
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -109.838671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.838671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.838671 (E_RNA)
where:
Base-Base interactions energy: -46.359
where: short stacking energy: -38.493
Base-Backbone interact. energy: -0.031
local terms energy: -63.448210
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -6.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -97.643528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.643528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.643528 (E_RNA)
where:
Base-Base interactions energy: -47.866
where: short stacking energy: -47.309
Base-Backbone interact. energy: -0.029
local terms energy: -49.748860
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -8.348
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -5.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -103.236025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.236025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.236025 (E_RNA)
where:
Base-Base interactions energy: -45.951
where: short stacking energy: -39.164
Base-Backbone interact. energy: 0.197
local terms energy: -57.481899
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -10.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -122.769020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.769020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.769020 (E_RNA)
where:
Base-Base interactions energy: -62.135
where: short stacking energy: -33.646
Base-Backbone interact. energy: -0.845
local terms energy: -59.788626
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -11.988
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -10.809
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: 9, replica: 8
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -100.396166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.396166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.396166 (E_RNA)
where:
Base-Base interactions energy: -32.370
where: short stacking energy: -29.835
Base-Backbone interact. energy: -1.036
local terms energy: -66.990452
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -10.416
flat angles P-C4'-P energy: -14.372
tors. eta vs tors. theta energy: -10.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -81.417576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.417576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.417576 (E_RNA)
where:
Base-Base interactions energy: -30.613
where: short stacking energy: -19.179
Base-Backbone interact. energy: -0.963
local terms energy: -49.841105
where:
bonds (distance) C4'-P energy: -7.515
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -11.352
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -3.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -197.525032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.525032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.525032 (E_RNA)
where:
Base-Base interactions energy: -127.711
where: short stacking energy: -63.960
Base-Backbone interact. energy: -0.077
local terms energy: -69.737550
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -10.254
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -19.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -200.442849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.442849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.442849 (E_RNA)
where:
Base-Base interactions energy: -121.441
where: short stacking energy: -73.287
Base-Backbone interact. energy: -0.634
local terms energy: -78.367823
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -22.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -184.445118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.445118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.445118 (E_RNA)
where:
Base-Base interactions energy: -115.239
where: short stacking energy: -55.890
Base-Backbone interact. energy: -0.047
local terms energy: -69.158707
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -10.578
flat angles P-C4'-P energy: -8.968
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: 4, replica: 10
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -168.026925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.026925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.026925 (E_RNA)
where:
Base-Base interactions energy: -105.210
where: short stacking energy: -58.742
Base-Backbone interact. energy: 1.876
local terms energy: -64.692716
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -11.634
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: 5, replica: 7
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -134.525671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.525671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.525671 (E_RNA)
where:
Base-Base interactions energy: -80.280
where: short stacking energy: -39.900
Base-Backbone interact. energy: -0.418
local terms energy: -53.828048
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -5.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -99.873402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.873402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.873402 (E_RNA)
where:
Base-Base interactions energy: -42.636
where: short stacking energy: -28.605
Base-Backbone interact. energy: -0.130
local terms energy: -57.107415
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: 2.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -142.326884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.326884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.326884 (E_RNA)
where:
Base-Base interactions energy: -90.749
where: short stacking energy: -37.175
Base-Backbone interact. energy: -0.156
local terms energy: -51.422442
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -9.988
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -3.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -82.743841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.743841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.743841 (E_RNA)
where:
Base-Base interactions energy: -31.352
where: short stacking energy: -31.352
Base-Backbone interact. energy: -2.694
local terms energy: -48.698753
where:
bonds (distance) C4'-P energy: -8.624
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -6.615
tors. eta vs tors. theta energy: -5.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -76.107118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.107118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.107118 (E_RNA)
where:
Base-Base interactions energy: -23.026
where: short stacking energy: -23.026
Base-Backbone interact. energy: -0.288
local terms energy: -52.793884
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -10.774
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -3.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -74.799359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.799359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.799359 (E_RNA)
where:
Base-Base interactions energy: -27.818
where: short stacking energy: -22.981
Base-Backbone interact. energy: -0.156
local terms energy: -46.825027
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -0.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -202.532396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.532396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.532396 (E_RNA)
where:
Base-Base interactions energy: -129.634
where: short stacking energy: -68.307
Base-Backbone interact. energy: -0.392
local terms energy: -72.506329
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -18.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -186.937165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.937165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.937165 (E_RNA)
where:
Base-Base interactions energy: -116.488
where: short stacking energy: -56.048
Base-Backbone interact. energy: -0.522
local terms energy: -69.927012
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -11.094
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -14.879
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: 6
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -198.012069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.012069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.012069 (E_RNA)
where:
Base-Base interactions energy: -125.389
where: short stacking energy: -74.135
Base-Backbone interact. energy: -0.005
local terms energy: -72.617609
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -11.348
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -22.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -193.557510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.557510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.557510 (E_RNA)
where:
Base-Base interactions energy: -129.376
where: short stacking energy: -45.725
Base-Backbone interact. energy: -0.896
local terms energy: -63.285211
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -14.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -116.057497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.057497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.057497 (E_RNA)
where:
Base-Base interactions energy: -66.133
where: short stacking energy: -45.409
Base-Backbone interact. energy: -0.323
local terms energy: -49.601653
where:
bonds (distance) C4'-P energy: -9.768
bonds (distance) P-C4' energy: -8.794
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -10.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -181.641638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.641638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.641638 (E_RNA)
where:
Base-Base interactions energy: -122.156
where: short stacking energy: -40.549
Base-Backbone interact. energy: -2.044
local terms energy: -57.442245
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -11.338
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -6.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -104.366148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.366148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.366148 (E_RNA)
where:
Base-Base interactions energy: -54.046
where: short stacking energy: -43.315
Base-Backbone interact. energy: -0.104
local terms energy: -50.216124
where:
bonds (distance) C4'-P energy: -7.979
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -4.311
tors. eta vs tors. theta energy: -8.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -83.504021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.504021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.504021 (E_RNA)
where:
Base-Base interactions energy: -35.139
where: short stacking energy: -24.353
Base-Backbone interact. energy: 0.113
local terms energy: -48.478234
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -9.316
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: 2.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -80.465768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.465768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.465768 (E_RNA)
where:
Base-Base interactions energy: -28.824
where: short stacking energy: -27.988
Base-Backbone interact. energy: -2.552
local terms energy: -49.089548
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -8.890
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -2.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -91.508579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.508579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.508579 (E_RNA)
where:
Base-Base interactions energy: -39.730
where: short stacking energy: -21.137
Base-Backbone interact. energy: -1.467
local terms energy: -50.310864
where:
bonds (distance) C4'-P energy: -8.200
bonds (distance) P-C4' energy: -11.381
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -6.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -187.611649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.611649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.611649 (E_RNA)
where:
Base-Base interactions energy: -125.330
where: short stacking energy: -66.100
Base-Backbone interact. energy: 0.087
local terms energy: -62.368424
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -5.236
tors. eta vs tors. theta energy: -15.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -189.599112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.599112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.599112 (E_RNA)
where:
Base-Base interactions energy: -111.263
where: short stacking energy: -63.165
Base-Backbone interact. energy: -0.034
local terms energy: -78.301916
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -20.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -191.346555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.346555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.346555 (E_RNA)
where:
Base-Base interactions energy: -127.530
where: short stacking energy: -57.362
Base-Backbone interact. energy: -0.204
local terms energy: -63.612099
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -13.601
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: 6
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -182.341949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.341949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.341949 (E_RNA)
where:
Base-Base interactions energy: -118.778
where: short stacking energy: -56.808
Base-Backbone interact. energy: -0.075
local terms energy: -63.488871
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -14.566
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: 1
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -196.380498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.380498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.380498 (E_RNA)
where:
Base-Base interactions energy: -135.450
where: short stacking energy: -50.144
Base-Backbone interact. energy: -0.860
local terms energy: -60.070255
where:
bonds (distance) C4'-P energy: -5.966
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -11.916
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: 7
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -142.596861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.596861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.596861 (E_RNA)
where:
Base-Base interactions energy: -87.747
where: short stacking energy: -40.577
Base-Backbone interact. energy: -0.462
local terms energy: -54.387074
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -7.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -96.146049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.146049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.146049 (E_RNA)
where:
Base-Base interactions energy: -37.707
where: short stacking energy: -33.444
Base-Backbone interact. energy: -0.014
local terms energy: -58.425183
where:
bonds (distance) C4'-P energy: -10.888
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -6.727
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: 8, replica: 2
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -94.474019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.474019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.474019 (E_RNA)
where:
Base-Base interactions energy: -49.041
where: short stacking energy: -28.318
Base-Backbone interact. energy: -0.590
local terms energy: -44.842504
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -3.598
tors. eta vs tors. theta energy: -0.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -98.154582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.154582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.154582 (E_RNA)
where:
Base-Base interactions energy: -40.729
where: short stacking energy: -39.515
Base-Backbone interact. energy: -0.149
local terms energy: -57.276924
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -5.084
tors. eta vs tors. theta energy: -8.868
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: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -84.682136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.682136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.682136 (E_RNA)
where:
Base-Base interactions energy: -36.126
where: short stacking energy: -23.350
Base-Backbone interact. energy: -0.285
local terms energy: -48.271185
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -10.420
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -3.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -195.256803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.256803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.256803 (E_RNA)
where:
Base-Base interactions energy: -126.364
where: short stacking energy: -70.065
Base-Backbone interact. energy: -0.025
local terms energy: -68.867899
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -10.353
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: 2, replica: 3
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -192.590024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.590024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.590024 (E_RNA)
where:
Base-Base interactions energy: -122.323
where: short stacking energy: -59.692
Base-Backbone interact. energy: -0.064
local terms energy: -70.203018
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -16.403
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: 3, replica: 10
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -195.600157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.600157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.600157 (E_RNA)
where:
Base-Base interactions energy: -134.065
where: short stacking energy: -60.557
Base-Backbone interact. energy: -0.867
local terms energy: -60.668682
where:
bonds (distance) C4'-P energy: -7.670
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -15.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -190.154605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.154605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.154605 (E_RNA)
where:
Base-Base interactions energy: -120.791
where: short stacking energy: -59.404
Base-Backbone interact. energy: -0.907
local terms energy: -68.457124
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -15.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -173.487440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.487440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.487440 (E_RNA)
where:
Base-Base interactions energy: -105.117
where: short stacking energy: -56.062
Base-Backbone interact. energy: -0.435
local terms energy: -67.934646
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -14.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -100.467750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.467750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.467750 (E_RNA)
where:
Base-Base interactions energy: -45.495
where: short stacking energy: -45.695
Base-Backbone interact. energy: -0.116
local terms energy: -54.856505
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -8.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -140.041330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.041330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.041330 (E_RNA)
where:
Base-Base interactions energy: -75.518
where: short stacking energy: -35.440
Base-Backbone interact. energy: -0.852
local terms energy: -63.670970
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -9.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -84.687657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.687657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.687657 (E_RNA)
where:
Base-Base interactions energy: -38.535
where: short stacking energy: -22.163
Base-Backbone interact. energy: 1.403
local terms energy: -47.555220
where:
bonds (distance) C4'-P energy: -9.222
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: 0.248
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: 9, replica: 8
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -79.530595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.530595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.530595 (E_RNA)
where:
Base-Base interactions energy: -33.109
where: short stacking energy: -33.109
Base-Backbone interact. energy: -0.148
local terms energy: -46.273680
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -12.273
flat angles C4'-P-C4' energy: -9.466
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -4.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -74.380154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.380154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.380154 (E_RNA)
where:
Base-Base interactions energy: -25.464
where: short stacking energy: -19.299
Base-Backbone interact. energy: -0.349
local terms energy: -48.567481
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -9.980
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: 0.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -199.212475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.212475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.212475 (E_RNA)
where:
Base-Base interactions energy: -124.663
where: short stacking energy: -72.100
Base-Backbone interact. energy: -0.099
local terms energy: -74.450918
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -19.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -189.137102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.137102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.137102 (E_RNA)
where:
Base-Base interactions energy: -114.637
where: short stacking energy: -61.105
Base-Backbone interact. energy: -0.059
local terms energy: -74.441641
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -12.180
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: 3, replica: 1
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -196.462774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.462774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.462774 (E_RNA)
where:
Base-Base interactions energy: -125.961
where: short stacking energy: -52.098
Base-Backbone interact. energy: -0.029
local terms energy: -70.472296
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -17.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -176.802616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.802616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.802616 (E_RNA)
where:
Base-Base interactions energy: -109.285
where: short stacking energy: -39.540
Base-Backbone interact. energy: 0.137
local terms energy: -67.654859
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -17.623
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -11.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -150.476791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.476791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.476791 (E_RNA)
where:
Base-Base interactions energy: -89.059
where: short stacking energy: -52.805
Base-Backbone interact. energy: -0.456
local terms energy: -60.962111
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -9.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -108.868857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.868857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.868857 (E_RNA)
where:
Base-Base interactions energy: -53.730
where: short stacking energy: -47.307
Base-Backbone interact. energy: -0.145
local terms energy: -54.994535
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -9.906
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -11.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -129.045188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.045188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.045188 (E_RNA)
where:
Base-Base interactions energy: -81.089
where: short stacking energy: -48.598
Base-Backbone interact. energy: -0.233
local terms energy: -47.722789
where:
bonds (distance) C4'-P energy: -8.875
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -5.887
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: 8, replica: 7
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -121.748799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.748799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.748799 (E_RNA)
where:
Base-Base interactions energy: -73.030
where: short stacking energy: -27.044
Base-Backbone interact. energy: -1.238
local terms energy: -47.481624
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -10.354
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -4.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -84.048636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.048636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.048636 (E_RNA)
where:
Base-Base interactions energy: -32.766
where: short stacking energy: -30.404
Base-Backbone interact. energy: -0.204
local terms energy: -51.078638
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -9.795
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -4.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -76.675950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.675950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.675950 (E_RNA)
where:
Base-Base interactions energy: -30.480
where: short stacking energy: -26.584
Base-Backbone interact. energy: -0.379
local terms energy: -45.816688
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -5.317
tors. eta vs tors. theta energy: -2.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -189.633904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.633904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.633904 (E_RNA)
where:
Base-Base interactions energy: -114.045
where: short stacking energy: -70.422
Base-Backbone interact. energy: 1.133
local terms energy: -76.721685
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -18.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -204.582397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.582397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.582397 (E_RNA)
where:
Base-Base interactions energy: -134.864
where: short stacking energy: -61.183
Base-Backbone interact. energy: -0.006
local terms energy: -69.712442
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -16.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -185.869231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.869231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.869231 (E_RNA)
where:
Base-Base interactions energy: -112.532
where: short stacking energy: -64.980
Base-Backbone interact. energy: -0.566
local terms energy: -72.772085
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -17.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -195.899020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.899020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.899020 (E_RNA)
where:
Base-Base interactions energy: -123.952
where: short stacking energy: -60.669
Base-Backbone interact. energy: -0.307
local terms energy: -71.640048
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -12.003
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: 5, replica: 6
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -152.954489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.954489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.954489 (E_RNA)
where:
Base-Base interactions energy: -94.449
where: short stacking energy: -44.655
Base-Backbone interact. energy: -0.186
local terms energy: -58.319706
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: -8.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -147.151000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.151000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.151000 (E_RNA)
where:
Base-Base interactions energy: -88.468
where: short stacking energy: -44.761
Base-Backbone interact. energy: -0.279
local terms energy: -58.404121
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -9.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -97.677770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.677770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.677770 (E_RNA)
where:
Base-Base interactions energy: -43.470
where: short stacking energy: -30.803
Base-Backbone interact. energy: -0.159
local terms energy: -54.048781
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -5.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -116.545907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.545907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.545907 (E_RNA)
where:
Base-Base interactions energy: -57.548
where: short stacking energy: -28.594
Base-Backbone interact. energy: 0.164
local terms energy: -59.161914
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -11.479
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -4.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -83.571628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.571628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.571628 (E_RNA)
where:
Base-Base interactions energy: -33.812
where: short stacking energy: -27.942
Base-Backbone interact. energy: -0.069
local terms energy: -49.690333
where:
bonds (distance) C4'-P energy: -6.366
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -11.529
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -5.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -78.263975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.263975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.263975 (E_RNA)
where:
Base-Base interactions energy: -25.495
where: short stacking energy: -25.495
Base-Backbone interact. energy: -0.003
local terms energy: -52.766355
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -9.285
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -5.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -208.729308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.729308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.729308 (E_RNA)
where:
Base-Base interactions energy: -132.846
where: short stacking energy: -63.680
Base-Backbone interact. energy: -0.782
local terms energy: -75.101901
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -18.297
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -17.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -189.261869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.261869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.261869 (E_RNA)
where:
Base-Base interactions energy: -119.114
where: short stacking energy: -70.687
Base-Backbone interact. energy: -0.144
local terms energy: -70.003697
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -12.157
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: 10
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -184.870589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.870589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.870589 (E_RNA)
where:
Base-Base interactions energy: -116.303
where: short stacking energy: -60.847
Base-Backbone interact. energy: 1.251
local terms energy: -69.818375
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -19.642
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -17.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -176.322789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.322789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.322789 (E_RNA)
where:
Base-Base interactions energy: -109.529
where: short stacking energy: -63.909
Base-Backbone interact. energy: -0.457
local terms energy: -66.337124
where:
bonds (distance) C4'-P energy: -10.126
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -14.520
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: 2
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -154.003894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.003894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.003894 (E_RNA)
where:
Base-Base interactions energy: -93.349
where: short stacking energy: -53.339
Base-Backbone interact. energy: -0.446
local terms energy: -60.208696
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -8.772
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -14.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -156.804295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.804295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.804295 (E_RNA)
where:
Base-Base interactions energy: -95.200
where: short stacking energy: -47.060
Base-Backbone interact. energy: -0.226
local terms energy: -61.378570
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -9.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -128.123052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.123052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.123052 (E_RNA)
where:
Base-Base interactions energy: -75.773
where: short stacking energy: -45.344
Base-Backbone interact. energy: -0.350
local terms energy: -51.999848
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -9.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -82.864006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.864006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.864006 (E_RNA)
where:
Base-Base interactions energy: -35.100
where: short stacking energy: -35.100
Base-Backbone interact. energy: -0.148
local terms energy: -47.615999
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -10.233
flat angles P-C4'-P energy: -4.712
tors. eta vs tors. theta energy: -2.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -80.926464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.926464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.926464 (E_RNA)
where:
Base-Base interactions energy: -30.769
where: short stacking energy: -28.336
Base-Backbone interact. energy: -0.149
local terms energy: -50.008101
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -10.072
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: 0.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -79.326876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.326876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.326876 (E_RNA)
where:
Base-Base interactions energy: -30.754
where: short stacking energy: -28.959
Base-Backbone interact. energy: -0.121
local terms energy: -48.451747
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -4.690
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: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -217.040378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.040378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.040378 (E_RNA)
where:
Base-Base interactions energy: -146.192
where: short stacking energy: -65.149
Base-Backbone interact. energy: -0.006
local terms energy: -70.842573
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -12.739
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -15.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -192.178832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.178832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.178832 (E_RNA)
where:
Base-Base interactions energy: -121.723
where: short stacking energy: -70.337
Base-Backbone interact. energy: -0.143
local terms energy: -70.313454
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -13.338
tors. eta vs tors. theta energy: -16.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -173.234290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.234290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.234290 (E_RNA)
where:
Base-Base interactions energy: -106.463
where: short stacking energy: -60.363
Base-Backbone interact. energy: -0.085
local terms energy: -66.686466
where:
bonds (distance) C4'-P energy: -9.570
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -16.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -189.017971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.017971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.017971 (E_RNA)
where:
Base-Base interactions energy: -117.612
where: short stacking energy: -47.591
Base-Backbone interact. energy: -0.003
local terms energy: -71.403692
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -9.867
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: 5, replica: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -174.807768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.807768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.807768 (E_RNA)
where:
Base-Base interactions energy: -104.140
where: short stacking energy: -56.891
Base-Backbone interact. energy: -0.002
local terms energy: -70.665188
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -12.526
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: 6, replica: 7
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -166.859542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.859542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.859542 (E_RNA)
where:
Base-Base interactions energy: -103.317
where: short stacking energy: -57.800
Base-Backbone interact. energy: -0.004
local terms energy: -63.539058
where:
bonds (distance) C4'-P energy: -10.498
bonds (distance) P-C4' energy: -11.613
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -17.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -137.636883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.636883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.636883 (E_RNA)
where:
Base-Base interactions energy: -86.918
where: short stacking energy: -43.696
Base-Backbone interact. energy: -0.278
local terms energy: -50.440905
where:
bonds (distance) C4'-P energy: -7.019
bonds (distance) P-C4' energy: -11.739
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -10.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -92.858052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.858052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.858052 (E_RNA)
where:
Base-Base interactions energy: -34.392
where: short stacking energy: -32.538
Base-Backbone interact. energy: -0.870
local terms energy: -57.596111
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -6.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -84.613674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.613674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.613674 (E_RNA)
where:
Base-Base interactions energy: -26.734
where: short stacking energy: -26.430
Base-Backbone interact. energy: -0.165
local terms energy: -57.714578
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -8.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -90.606619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.606619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.606619 (E_RNA)
where:
Base-Base interactions energy: -40.227
where: short stacking energy: -25.946
Base-Backbone interact. energy: -0.146
local terms energy: -50.233912
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -12.167
flat angles C4'-P-C4' energy: -9.823
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -6.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -210.061285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.061285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.061285 (E_RNA)
where:
Base-Base interactions energy: -130.116
where: short stacking energy: -63.630
Base-Backbone interact. energy: -0.019
local terms energy: -79.926251
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -14.144
tors. eta vs tors. theta energy: -18.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -197.785078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.785078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.785078 (E_RNA)
where:
Base-Base interactions energy: -121.895
where: short stacking energy: -70.833
Base-Backbone interact. energy: -0.038
local terms energy: -75.851706
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -18.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -184.928213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.928213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.928213 (E_RNA)
where:
Base-Base interactions energy: -106.676
where: short stacking energy: -55.208
Base-Backbone interact. energy: -1.073
local terms energy: -77.179071
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -17.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -192.955765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.955765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.955765 (E_RNA)
where:
Base-Base interactions energy: -123.724
where: short stacking energy: -69.387
Base-Backbone interact. energy: -0.148
local terms energy: -69.083371
where:
bonds (distance) C4'-P energy: -11.177
bonds (distance) P-C4' energy: -12.622
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -17.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -195.888985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.888985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.888985 (E_RNA)
where:
Base-Base interactions energy: -126.224
where: short stacking energy: -52.166
Base-Backbone interact. energy: -0.149
local terms energy: -69.516551
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -14.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -151.457465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.457465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.457465 (E_RNA)
where:
Base-Base interactions energy: -95.026
where: short stacking energy: -44.519
Base-Backbone interact. energy: -0.188
local terms energy: -56.243212
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -10.231
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -6.596
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: 8
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -89.681761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.681761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.681761 (E_RNA)
where:
Base-Base interactions energy: -35.324
where: short stacking energy: -35.324
Base-Backbone interact. energy: -0.216
local terms energy: -54.141575
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -10.909
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -8.452
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: 8, replica: 6
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -149.862813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.862813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.862813 (E_RNA)
where:
Base-Base interactions energy: -88.395
where: short stacking energy: -52.126
Base-Backbone interact. energy: -0.051
local terms energy: -61.417291
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -10.787
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -16.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -80.204506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.204506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.204506 (E_RNA)
where:
Base-Base interactions energy: -29.950
where: short stacking energy: -29.818
Base-Backbone interact. energy: -0.014
local terms energy: -50.240232
where:
bonds (distance) C4'-P energy: -9.272
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -3.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -80.874981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.874981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.874981 (E_RNA)
where:
Base-Base interactions energy: -38.923
where: short stacking energy: -21.279
Base-Backbone interact. energy: -0.369
local terms energy: -41.582615
where:
bonds (distance) C4'-P energy: -9.889
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -7.337
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: 4.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -208.734376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.734376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.734376 (E_RNA)
where:
Base-Base interactions energy: -134.204
where: short stacking energy: -63.637
Base-Backbone interact. energy: -0.101
local terms energy: -74.429776
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -12.806
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: 2, replica: 4
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -188.724425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.724425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.724425 (E_RNA)
where:
Base-Base interactions energy: -116.800
where: short stacking energy: -56.706
Base-Backbone interact. energy: 0.079
local terms energy: -72.003522
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -17.889
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -14.380
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: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -193.380714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.380714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.380714 (E_RNA)
where:
Base-Base interactions energy: -125.701
where: short stacking energy: -58.622
Base-Backbone interact. energy: 1.085
local terms energy: -68.764542
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -13.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -203.169629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.169629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.169629 (E_RNA)
where:
Base-Base interactions energy: -142.355
where: short stacking energy: -47.752
Base-Backbone interact. energy: -0.193
local terms energy: -60.620920
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -7.849
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -14.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -172.082527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.082527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.082527 (E_RNA)
where:
Base-Base interactions energy: -110.560
where: short stacking energy: -50.528
Base-Backbone interact. energy: -0.074
local terms energy: -61.448476
where:
bonds (distance) C4'-P energy: -8.845
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -12.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -170.190905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.190905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.190905 (E_RNA)
where:
Base-Base interactions energy: -114.725
where: short stacking energy: -47.979
Base-Backbone interact. energy: 0.037
local terms energy: -55.502729
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -9.624
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -11.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -100.404665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.404665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.404665 (E_RNA)
where:
Base-Base interactions energy: -38.620
where: short stacking energy: -35.016
Base-Backbone interact. energy: -0.026
local terms energy: -61.758674
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -7.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -143.261044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.261044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.261044 (E_RNA)
where:
Base-Base interactions energy: -88.949
where: short stacking energy: -30.569
Base-Backbone interact. energy: -0.748
local terms energy: -53.564234
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -4.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -78.890042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.890042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.890042 (E_RNA)
where:
Base-Base interactions energy: -25.168
where: short stacking energy: -22.360
Base-Backbone interact. energy: -0.456
local terms energy: -53.265404
where:
bonds (distance) C4'-P energy: -11.392
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -7.881
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: 10, replica: 5
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -72.239306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.239306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.239306 (E_RNA)
where:
Base-Base interactions energy: -29.130
where: short stacking energy: -15.573
Base-Backbone interact. energy: -0.435
local terms energy: -42.674556
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -4.712
tors. eta vs tors. theta energy: 3.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -209.193135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.193135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.193135 (E_RNA)
where:
Base-Base interactions energy: -137.370
where: short stacking energy: -61.338
Base-Backbone interact. energy: -0.004
local terms energy: -71.819148
where:
bonds (distance) C4'-P energy: -9.604
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -15.419
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: 4
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -189.726149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.726149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.726149 (E_RNA)
where:
Base-Base interactions energy: -117.051
where: short stacking energy: -64.664
Base-Backbone interact. energy: -0.114
local terms energy: -72.560941
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -19.293
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: 88
Temperature: 1.000000
Total energy: -207.057143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.057143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.057143 (E_RNA)
where:
Base-Base interactions energy: -140.007
where: short stacking energy: -64.113
Base-Backbone interact. energy: -0.761
local terms energy: -66.289858
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -9.374
flat angles P-C4'-P energy: -5.735
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: 4, replica: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -177.843022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.843022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.843022 (E_RNA)
where:
Base-Base interactions energy: -113.138
where: short stacking energy: -40.153
Base-Backbone interact. energy: -0.087
local terms energy: -64.617863
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -11.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -183.407012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.407012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.407012 (E_RNA)
where:
Base-Base interactions energy: -113.714
where: short stacking energy: -68.161
Base-Backbone interact. energy: -0.066
local terms energy: -69.627026
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -9.497
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: 6, replica: 10
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -161.575253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.575253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.575253 (E_RNA)
where:
Base-Base interactions energy: -97.054
where: short stacking energy: -52.161
Base-Backbone interact. energy: -0.465
local terms energy: -64.056254
where:
bonds (distance) C4'-P energy: -11.148
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -13.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -151.441657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.441657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.441657 (E_RNA)
where:
Base-Base interactions energy: -100.807
where: short stacking energy: -50.511
Base-Backbone interact. energy: -0.250
local terms energy: -50.384861
where:
bonds (distance) C4'-P energy: -9.193
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -7.279
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -10.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -88.055697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.055697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.055697 (E_RNA)
where:
Base-Base interactions energy: -36.135
where: short stacking energy: -36.118
Base-Backbone interact. energy: -0.019
local terms energy: -51.901678
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -14.233
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -1.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -85.937008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.937008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.937008 (E_RNA)
where:
Base-Base interactions energy: -35.286
where: short stacking energy: -27.623
Base-Backbone interact. energy: -0.244
local terms energy: -50.406177
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -9.589
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: 88
Temperature: 1.350000
Total energy: -75.646644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.646644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.646644 (E_RNA)
where:
Base-Base interactions energy: -26.287
where: short stacking energy: -22.194
Base-Backbone interact. energy: -0.137
local terms energy: -49.222649
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: 1.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -215.666239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.666239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.666239 (E_RNA)
where:
Base-Base interactions energy: -137.473
where: short stacking energy: -65.006
Base-Backbone interact. energy: -0.006
local terms energy: -78.187228
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -12.005
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: 2, replica: 7
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -211.316648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.316648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.316648 (E_RNA)
where:
Base-Base interactions energy: -140.972
where: short stacking energy: -62.458
Base-Backbone interact. energy: -0.812
local terms energy: -69.532496
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -14.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -196.059517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.059517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.059517 (E_RNA)
where:
Base-Base interactions energy: -121.124
where: short stacking energy: -67.626
Base-Backbone interact. energy: 0.075
local terms energy: -75.010453
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -9.982
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: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -171.471680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.471680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.471680 (E_RNA)
where:
Base-Base interactions energy: -102.949
where: short stacking energy: -61.413
Base-Backbone interact. energy: -0.001
local terms energy: -68.521861
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -8.771
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: 5, replica: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -166.972230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.972230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.972230 (E_RNA)
where:
Base-Base interactions energy: -94.958
where: short stacking energy: -54.010
Base-Backbone interact. energy: -0.000
local terms energy: -72.013314
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -12.032
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: 6, replica: 6
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -159.659404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.659404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.659404 (E_RNA)
where:
Base-Base interactions energy: -96.824
where: short stacking energy: -43.220
Base-Backbone interact. energy: -0.719
local terms energy: -62.116068
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -8.588
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: 7, replica: 10
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -161.885121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.885121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.885121 (E_RNA)
where:
Base-Base interactions energy: -94.352
where: short stacking energy: -38.110
Base-Backbone interact. energy: 0.309
local terms energy: -67.842653
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -10.624
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -10.659
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: 5
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -96.629642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.629642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.629642 (E_RNA)
where:
Base-Base interactions energy: -48.830
where: short stacking energy: -35.153
Base-Backbone interact. energy: 1.737
local terms energy: -49.535762
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -9.355
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -5.779
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: 8
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -71.138746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.138746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.138746 (E_RNA)
where:
Base-Base interactions energy: -27.032
where: short stacking energy: -11.313
Base-Backbone interact. energy: 1.218
local terms energy: -45.324461
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -3.002
tors. eta vs tors. theta energy: 1.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -80.877254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.877254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.877254 (E_RNA)
where:
Base-Base interactions energy: -34.977
where: short stacking energy: -27.291
Base-Backbone interact. energy: -0.127
local terms energy: -45.772620
where:
bonds (distance) C4'-P energy: -7.103
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -4.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -220.720135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.720135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.720135 (E_RNA)
where:
Base-Base interactions energy: -142.749
where: short stacking energy: -59.028
Base-Backbone interact. energy: -0.539
local terms energy: -77.432490
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -21.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -212.128247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.128247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.128247 (E_RNA)
where:
Base-Base interactions energy: -137.533
where: short stacking energy: -66.672
Base-Backbone interact. energy: -0.098
local terms energy: -74.497280
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -17.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -177.354251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.354251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.354251 (E_RNA)
where:
Base-Base interactions energy: -105.771
where: short stacking energy: -58.627
Base-Backbone interact. energy: -0.207
local terms energy: -71.376255
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -16.093
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: 4, replica: 4
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -179.875418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.875418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.875418 (E_RNA)
where:
Base-Base interactions energy: -111.127
where: short stacking energy: -54.859
Base-Backbone interact. energy: -0.121
local terms energy: -68.626968
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -15.972
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: 90
Temperature: 1.100000
Total energy: -165.865538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.865538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.865538 (E_RNA)
where:
Base-Base interactions energy: -98.939
where: short stacking energy: -46.598
Base-Backbone interact. energy: 0.984
local terms energy: -67.910699
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -9.701
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: 6, replica: 2
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -148.756110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.756110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.756110 (E_RNA)
where:
Base-Base interactions energy: -81.778
where: short stacking energy: -43.674
Base-Backbone interact. energy: -0.096
local terms energy: -66.882258
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -9.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -150.537042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.537042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.537042 (E_RNA)
where:
Base-Base interactions energy: -86.903
where: short stacking energy: -38.075
Base-Backbone interact. energy: -0.153
local terms energy: -63.480935
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -12.002
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -8.980
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: 5
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -87.605976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.605976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.605976 (E_RNA)
where:
Base-Base interactions energy: -43.369
where: short stacking energy: -17.662
Base-Backbone interact. energy: 0.508
local terms energy: -44.745265
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -9.735
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: 2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -92.568231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.568231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.568231 (E_RNA)
where:
Base-Base interactions energy: -43.957
where: short stacking energy: -31.967
Base-Backbone interact. energy: -0.032
local terms energy: -48.578973
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -10.356
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -4.882
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: 8
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -81.399827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.399827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.399827 (E_RNA)
where:
Base-Base interactions energy: -28.939
where: short stacking energy: -23.094
Base-Backbone interact. energy: -0.215
local terms energy: -52.245748
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -10.169
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -6.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -233.860271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.860271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.860271 (E_RNA)
where:
Base-Base interactions energy: -147.845
where: short stacking energy: -69.675
Base-Backbone interact. energy: -1.714
local terms energy: -84.300623
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -14.179
tors. eta vs tors. theta energy: -23.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -212.874497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.874497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.874497 (E_RNA)
where:
Base-Base interactions energy: -135.196
where: short stacking energy: -66.725
Base-Backbone interact. energy: -0.044
local terms energy: -77.633913
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -20.790
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: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -172.854264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.854264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.854264 (E_RNA)
where:
Base-Base interactions energy: -109.844
where: short stacking energy: -55.765
Base-Backbone interact. energy: -0.006
local terms energy: -63.003986
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -12.853
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: 4, replica: 4
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -186.247578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.247578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.247578 (E_RNA)
where:
Base-Base interactions energy: -117.793
where: short stacking energy: -63.793
Base-Backbone interact. energy: -0.067
local terms energy: -68.387231
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -10.354
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -20.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -189.614417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.614417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.614417 (E_RNA)
where:
Base-Base interactions energy: -118.575
where: short stacking energy: -62.423
Base-Backbone interact. energy: -0.228
local terms energy: -70.812105
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -6.464
tors. eta vs tors. theta energy: -17.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -144.488644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.488644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.488644 (E_RNA)
where:
Base-Base interactions energy: -84.952
where: short stacking energy: -41.786
Base-Backbone interact. energy: -0.501
local terms energy: -59.036064
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -8.030
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: 7, replica: 2
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -109.040847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.040847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.040847 (E_RNA)
where:
Base-Base interactions energy: -66.262
where: short stacking energy: -41.053
Base-Backbone interact. energy: -0.098
local terms energy: -42.681261
where:
bonds (distance) C4'-P energy: -4.982
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -2.891
tors. eta vs tors. theta energy: -6.799
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: 9
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -78.339465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.339465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.339465 (E_RNA)
where:
Base-Base interactions energy: -34.273
where: short stacking energy: -26.835
Base-Backbone interact. energy: 0.393
local terms energy: -44.460373
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -0.474
tors. eta vs tors. theta energy: -1.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -83.309122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.309122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.309122 (E_RNA)
where:
Base-Base interactions energy: -29.486
where: short stacking energy: -29.486
Base-Backbone interact. energy: -0.381
local terms energy: -53.442630
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -11.755
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -10.248
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: 8
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -81.878148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.878148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.878148 (E_RNA)
where:
Base-Base interactions energy: -39.933
where: short stacking energy: -24.960
Base-Backbone interact. energy: -0.611
local terms energy: -41.333542
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -10.736
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -0.654
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: 7
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -223.724406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.724406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.724406 (E_RNA)
where:
Base-Base interactions energy: -147.585
where: short stacking energy: -76.132
Base-Backbone interact. energy: -0.050
local terms energy: -76.089222
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -20.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -208.310700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.310700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.310700 (E_RNA)
where:
Base-Base interactions energy: -132.796
where: short stacking energy: -61.718
Base-Backbone interact. energy: -0.646
local terms energy: -74.868815
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -20.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -198.410327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.410327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.410327 (E_RNA)
where:
Base-Base interactions energy: -118.214
where: short stacking energy: -64.868
Base-Backbone interact. energy: -0.054
local terms energy: -80.142623
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -16.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -166.524694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.524694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.524694 (E_RNA)
where:
Base-Base interactions energy: -101.596
where: short stacking energy: -47.341
Base-Backbone interact. energy: -0.331
local terms energy: -64.597397
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -10.398
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: 5, replica: 6
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -182.097763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.097763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.097763 (E_RNA)
where:
Base-Base interactions energy: -112.581
where: short stacking energy: -54.432
Base-Backbone interact. energy: -0.110
local terms energy: -69.406074
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -15.829
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: 10
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -164.583424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.583424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.583424 (E_RNA)
where:
Base-Base interactions energy: -92.695
where: short stacking energy: -51.994
Base-Backbone interact. energy: -0.114
local terms energy: -71.774155
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -15.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -124.402645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.402645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.402645 (E_RNA)
where:
Base-Base interactions energy: -73.326
where: short stacking energy: -34.410
Base-Backbone interact. energy: -0.019
local terms energy: -51.057761
where:
bonds (distance) C4'-P energy: -7.196
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -5.434
tors. eta vs tors. theta energy: -9.700
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: 9
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -95.469313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.469313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.469313 (E_RNA)
where:
Base-Base interactions energy: -40.689
where: short stacking energy: -40.689
Base-Backbone interact. energy: 0.450
local terms energy: -55.229757
where:
bonds (distance) C4'-P energy: -10.055
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -8.617
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -9.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -89.703590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.703590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.703590 (E_RNA)
where:
Base-Base interactions energy: -46.241
where: short stacking energy: -20.985
Base-Backbone interact. energy: -0.158
local terms energy: -43.304320
where:
bonds (distance) C4'-P energy: -8.768
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -5.696
tors. eta vs tors. theta energy: -0.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -85.914675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.914675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.914675 (E_RNA)
where:
Base-Base interactions energy: -45.234
where: short stacking energy: -18.886
Base-Backbone interact. energy: -0.860
local terms energy: -39.821156
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -4.824
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -0.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -230.252569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.252569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.252569 (E_RNA)
where:
Base-Base interactions energy: -146.926
where: short stacking energy: -77.161
Base-Backbone interact. energy: -0.005
local terms energy: -83.322149
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -21.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -211.702756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.702756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.702756 (E_RNA)
where:
Base-Base interactions energy: -130.440
where: short stacking energy: -66.443
Base-Backbone interact. energy: -0.005
local terms energy: -81.257527
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -13.597
tors. eta vs tors. theta energy: -20.248
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: 3, replica: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -201.549845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.549845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.549845 (E_RNA)
where:
Base-Base interactions energy: -123.624
where: short stacking energy: -71.752
Base-Backbone interact. energy: 0.211
local terms energy: -78.136478
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -22.538
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: 93
Temperature: 1.050000
Total energy: -186.558955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.558955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.558955 (E_RNA)
where:
Base-Base interactions energy: -112.846
where: short stacking energy: -59.581
Base-Backbone interact. energy: -0.069
local terms energy: -73.643375
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -14.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -158.750403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.750403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.750403 (E_RNA)
where:
Base-Base interactions energy: -92.382
where: short stacking energy: -48.301
Base-Backbone interact. energy: -0.008
local terms energy: -66.359749
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -13.956
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: 10
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -152.105654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.105654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.105654 (E_RNA)
where:
Base-Base interactions energy: -90.428
where: short stacking energy: -45.799
Base-Backbone interact. energy: -0.072
local terms energy: -61.605623
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -9.296
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -11.678
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: 2
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -147.308398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.308398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.308398 (E_RNA)
where:
Base-Base interactions energy: -93.801
where: short stacking energy: -48.120
Base-Backbone interact. energy: 0.033
local terms energy: -53.540848
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -8.346
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -9.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -82.609453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.609453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.609453 (E_RNA)
where:
Base-Base interactions energy: -37.076
where: short stacking energy: -28.282
Base-Backbone interact. energy: 3.902
local terms energy: -49.435503
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -8.306
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: 9, replica: 9
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -83.553233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.553233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.553233 (E_RNA)
where:
Base-Base interactions energy: -32.938
where: short stacking energy: -32.938
Base-Backbone interact. energy: -0.043
local terms energy: -50.572142
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -6.692
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: 10, replica: 5
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -80.973187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.973187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.973187 (E_RNA)
where:
Base-Base interactions energy: -28.788
where: short stacking energy: -22.238
Base-Backbone interact. energy: -0.216
local terms energy: -51.969047
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -2.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -224.401398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.401398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.401398 (E_RNA)
where:
Base-Base interactions energy: -141.990
where: short stacking energy: -72.008
Base-Backbone interact. energy: -0.021
local terms energy: -82.389747
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -23.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -202.159400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.159400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.159400 (E_RNA)
where:
Base-Base interactions energy: -126.790
where: short stacking energy: -60.114
Base-Backbone interact. energy: -0.001
local terms energy: -75.367803
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -16.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -190.629076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.629076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.629076 (E_RNA)
where:
Base-Base interactions energy: -124.769
where: short stacking energy: -65.338
Base-Backbone interact. energy: -0.005
local terms energy: -65.855194
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -18.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -173.618509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.618509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.618509 (E_RNA)
where:
Base-Base interactions energy: -110.973
where: short stacking energy: -49.879
Base-Backbone interact. energy: -0.090
local terms energy: -62.555617
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -10.192
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -6.119
tors. eta vs tors. theta energy: -14.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -172.347262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.347262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.347262 (E_RNA)
where:
Base-Base interactions energy: -103.478
where: short stacking energy: -56.145
Base-Backbone interact. energy: -0.048
local terms energy: -68.820968
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -13.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -158.315849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.315849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.315849 (E_RNA)
where:
Base-Base interactions energy: -101.205
where: short stacking energy: -57.404
Base-Backbone interact. energy: -0.068
local terms energy: -57.043111
where:
bonds (distance) C4'-P energy: -10.088
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -9.969
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: 2
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -135.712326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.712326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.712326 (E_RNA)
where:
Base-Base interactions energy: -87.342
where: short stacking energy: -45.357
Base-Backbone interact. energy: -0.569
local terms energy: -47.801368
where:
bonds (distance) C4'-P energy: -6.029
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -8.250
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -9.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -85.972284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.972284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.972284 (E_RNA)
where:
Base-Base interactions energy: -31.248
where: short stacking energy: -31.248
Base-Backbone interact. energy: -0.416
local terms energy: -54.307639
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -11.077
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: 9, replica: 5
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -81.216661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.216661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.216661 (E_RNA)
where:
Base-Base interactions energy: -28.353
where: short stacking energy: -27.549
Base-Backbone interact. energy: -0.075
local terms energy: -52.788851
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -10.113
flat angles C4'-P-C4' energy: -11.075
flat angles P-C4'-P energy: -11.996
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: 10, replica: 9
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -82.351956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.351956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.351956 (E_RNA)
where:
Base-Base interactions energy: -25.808
where: short stacking energy: -25.808
Base-Backbone interact. energy: -0.038
local terms energy: -56.506102
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -2.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -230.374477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.374477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.374477 (E_RNA)
where:
Base-Base interactions energy: -150.734
where: short stacking energy: -75.792
Base-Backbone interact. energy: -0.085
local terms energy: -79.555074
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -21.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -213.610246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.610246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.610246 (E_RNA)
where:
Base-Base interactions energy: -132.824
where: short stacking energy: -66.092
Base-Backbone interact. energy: -0.622
local terms energy: -80.164292
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -18.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -187.277026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.277026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.277026 (E_RNA)
where:
Base-Base interactions energy: -108.260
where: short stacking energy: -60.594
Base-Backbone interact. energy: -1.116
local terms energy: -77.900839
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -11.706
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: 4, replica: 10
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -181.993178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.993178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.993178 (E_RNA)
where:
Base-Base interactions energy: -116.296
where: short stacking energy: -60.735
Base-Backbone interact. energy: -0.063
local terms energy: -65.633853
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -5.978
tors. eta vs tors. theta energy: -14.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -155.240762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.240762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.240762 (E_RNA)
where:
Base-Base interactions energy: -94.503
where: short stacking energy: -45.300
Base-Backbone interact. energy: -0.187
local terms energy: -60.550414
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -9.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -159.445307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.445307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.445307 (E_RNA)
where:
Base-Base interactions energy: -112.104
where: short stacking energy: -57.937
Base-Backbone interact. energy: -0.223
local terms energy: -47.117997
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -6.142
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -2.112
tors. eta vs tors. theta energy: -9.511
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: 2
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -146.763735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.763735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.763735 (E_RNA)
where:
Base-Base interactions energy: -92.859
where: short stacking energy: -40.068
Base-Backbone interact. energy: -0.300
local terms energy: -53.604057
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -4.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -80.234792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.234792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.234792 (E_RNA)
where:
Base-Base interactions energy: -28.910
where: short stacking energy: -26.167
Base-Backbone interact. energy: -0.131
local terms energy: -51.193187
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: 1.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -78.199527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.199527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.199527 (E_RNA)
where:
Base-Base interactions energy: -25.563
where: short stacking energy: -25.563
Base-Backbone interact. energy: -0.016
local terms energy: -52.621290
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -8.705
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -2.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -74.329173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.329173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.329173 (E_RNA)
where:
Base-Base interactions energy: -33.408
where: short stacking energy: -21.190
Base-Backbone interact. energy: 1.416
local terms energy: -42.337263
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -11.236
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: 2.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -229.876288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.876288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.876288 (E_RNA)
where:
Base-Base interactions energy: -149.835
where: short stacking energy: -72.156
Base-Backbone interact. energy: -0.001
local terms energy: -80.039868
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -11.008
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: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -213.110433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.110433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.110433 (E_RNA)
where:
Base-Base interactions energy: -137.429
where: short stacking energy: -67.745
Base-Backbone interact. energy: -0.140
local terms energy: -75.542126
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -19.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -185.534976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.534976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.534976 (E_RNA)
where:
Base-Base interactions energy: -115.588
where: short stacking energy: -68.210
Base-Backbone interact. energy: -0.081
local terms energy: -69.866766
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -7.484
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: 4, replica: 3
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -172.240061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.240061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.240061 (E_RNA)
where:
Base-Base interactions energy: -106.408
where: short stacking energy: -46.287
Base-Backbone interact. energy: -0.223
local terms energy: -65.609059
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -12.338
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: 6
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -161.246256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.246256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.246256 (E_RNA)
where:
Base-Base interactions energy: -96.416
where: short stacking energy: -46.461
Base-Backbone interact. energy: -0.006
local terms energy: -64.824066
where:
bonds (distance) C4'-P energy: -10.095
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: -16.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -158.553516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.553516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.553516 (E_RNA)
where:
Base-Base interactions energy: -98.884
where: short stacking energy: -48.291
Base-Backbone interact. energy: -0.084
local terms energy: -59.585051
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -11.875
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -11.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -161.451283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.451283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.451283 (E_RNA)
where:
Base-Base interactions energy: -101.059
where: short stacking energy: -40.664
Base-Backbone interact. energy: -0.218
local terms energy: -60.173957
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -8.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -84.365040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.365040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.365040 (E_RNA)
where:
Base-Base interactions energy: -46.353
where: short stacking energy: -20.669
Base-Backbone interact. energy: 2.163
local terms energy: -40.175043
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -9.127
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: 2.892
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: 96
Temperature: 1.300000
Total energy: -90.816425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.816425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.816425 (E_RNA)
where:
Base-Base interactions energy: -55.143
where: short stacking energy: -38.683
Base-Backbone interact. energy: -0.021
local terms energy: -35.652332
where:
bonds (distance) C4'-P energy: -6.573
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -3.777
flat angles P-C4'-P energy: -4.185
tors. eta vs tors. theta energy: -6.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -81.615589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.615589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.615589 (E_RNA)
where:
Base-Base interactions energy: -32.906
where: short stacking energy: -30.525
Base-Backbone interact. energy: -0.131
local terms energy: -48.578310
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -5.836
tors. eta vs tors. theta energy: -2.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -226.923385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.923385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.923385 (E_RNA)
where:
Base-Base interactions energy: -147.489
where: short stacking energy: -73.026
Base-Backbone interact. energy: -0.100
local terms energy: -79.334313
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -19.347
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -21.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -199.719646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.719646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.719646 (E_RNA)
where:
Base-Base interactions energy: -120.478
where: short stacking energy: -61.187
Base-Backbone interact. energy: -0.254
local terms energy: -78.987434
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -22.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -200.086051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.086051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.086051 (E_RNA)
where:
Base-Base interactions energy: -133.647
where: short stacking energy: -65.012
Base-Backbone interact. energy: -0.003
local terms energy: -66.435947
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -10.805
flat angles P-C4'-P energy: -10.255
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: 4, replica: 3
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -172.097961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.097961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.097961 (E_RNA)
where:
Base-Base interactions energy: -105.617
where: short stacking energy: -38.795
Base-Backbone interact. energy: 1.461
local terms energy: -67.942105
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -11.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -166.405920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.405920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.405920 (E_RNA)
where:
Base-Base interactions energy: -96.728
where: short stacking energy: -49.340
Base-Backbone interact. energy: -0.049
local terms energy: -69.628891
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -13.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -164.052047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.052047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.052047 (E_RNA)
where:
Base-Base interactions energy: -102.166
where: short stacking energy: -46.833
Base-Backbone interact. energy: -1.309
local terms energy: -60.577444
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -4.637
tors. eta vs tors. theta energy: -13.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -148.569755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.569755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.569755 (E_RNA)
where:
Base-Base interactions energy: -92.857
where: short stacking energy: -47.555
Base-Backbone interact. energy: -0.012
local terms energy: -55.700505
where:
bonds (distance) C4'-P energy: -11.252
bonds (distance) P-C4' energy: -13.263
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -8.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -110.856082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.856082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.856082 (E_RNA)
where:
Base-Base interactions energy: -55.392
where: short stacking energy: -38.713
Base-Backbone interact. energy: 2.968
local terms energy: -58.432308
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -9.777
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -7.923
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: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -90.167648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.167648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.167648 (E_RNA)
where:
Base-Base interactions energy: -35.713
where: short stacking energy: -34.031
Base-Backbone interact. energy: -0.238
local terms energy: -54.217129
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -11.294
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -5.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -80.114295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.114295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.114295 (E_RNA)
where:
Base-Base interactions energy: -32.841
where: short stacking energy: -29.509
Base-Backbone interact. energy: 0.380
local terms energy: -47.653467
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -5.310
tors. eta vs tors. theta energy: -1.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -218.698869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.698869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.698869 (E_RNA)
where:
Base-Base interactions energy: -141.928
where: short stacking energy: -59.471
Base-Backbone interact. energy: -2.507
local terms energy: -74.264544
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -18.683
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -21.034
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: 2, replica: 10
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -197.508787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.508787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.508787 (E_RNA)
where:
Base-Base interactions energy: -120.056
where: short stacking energy: -68.887
Base-Backbone interact. energy: -0.126
local terms energy: -77.326971
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -22.945
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: 1
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -199.953610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.953610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.953610 (E_RNA)
where:
Base-Base interactions energy: -128.389
where: short stacking energy: -66.692
Base-Backbone interact. energy: -0.000
local terms energy: -71.564409
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -18.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -184.389816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.389816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.389816 (E_RNA)
where:
Base-Base interactions energy: -112.567
where: short stacking energy: -57.322
Base-Backbone interact. energy: -1.311
local terms energy: -70.512007
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -16.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -157.862586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.862586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.862586 (E_RNA)
where:
Base-Base interactions energy: -96.915
where: short stacking energy: -49.935
Base-Backbone interact. energy: 0.012
local terms energy: -60.959341
where:
bonds (distance) C4'-P energy: -7.773
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -13.242
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: 2
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -163.851309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.851309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.851309 (E_RNA)
where:
Base-Base interactions energy: -98.852
where: short stacking energy: -57.051
Base-Backbone interact. energy: -0.005
local terms energy: -64.993491
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -13.226
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: 4
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -143.896068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.896068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.896068 (E_RNA)
where:
Base-Base interactions energy: -86.354
where: short stacking energy: -34.876
Base-Backbone interact. energy: -0.558
local terms energy: -56.984267
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -6.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -81.432449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.432449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.432449 (E_RNA)
where:
Base-Base interactions energy: -33.479
where: short stacking energy: -33.479
Base-Backbone interact. energy: -0.096
local terms energy: -47.856983
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -8.817
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -89.985342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.985342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.985342 (E_RNA)
where:
Base-Base interactions energy: -39.503
where: short stacking energy: -38.278
Base-Backbone interact. energy: -0.185
local terms energy: -50.297619
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -4.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -77.321142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.321142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.321142 (E_RNA)
where:
Base-Base interactions energy: -27.653
where: short stacking energy: -21.187
Base-Backbone interact. energy: -0.023
local terms energy: -49.644865
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: 0.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -230.128201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.128201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.128201 (E_RNA)
where:
Base-Base interactions energy: -151.597
where: short stacking energy: -69.172
Base-Backbone interact. energy: -0.054
local terms energy: -78.477517
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -21.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -210.138692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.138692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.138692 (E_RNA)
where:
Base-Base interactions energy: -137.437
where: short stacking energy: -59.823
Base-Backbone interact. energy: -0.036
local terms energy: -72.665826
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -15.111
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -13.018
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: 10
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -179.460887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.460887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.460887 (E_RNA)
where:
Base-Base interactions energy: -111.660
where: short stacking energy: -66.640
Base-Backbone interact. energy: -0.451
local terms energy: -67.349322
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -16.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -168.346033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.346033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.346033 (E_RNA)
where:
Base-Base interactions energy: -102.942
where: short stacking energy: -47.362
Base-Backbone interact. energy: -0.116
local terms energy: -65.287259
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -9.574
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -12.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -162.862440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.862440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.862440 (E_RNA)
where:
Base-Base interactions energy: -96.829
where: short stacking energy: -56.397
Base-Backbone interact. energy: 0.494
local terms energy: -66.527142
where:
bonds (distance) C4'-P energy: -9.587
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -13.377
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: 2
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -172.245432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.245432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.245432 (E_RNA)
where:
Base-Base interactions energy: -101.886
where: short stacking energy: -59.549
Base-Backbone interact. energy: -0.004
local terms energy: -70.355731
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -16.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -141.532095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.532095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.532095 (E_RNA)
where:
Base-Base interactions energy: -93.750
where: short stacking energy: -45.169
Base-Backbone interact. energy: -1.025
local terms energy: -46.756853
where:
bonds (distance) C4'-P energy: -9.347
bonds (distance) P-C4' energy: -11.480
flat angles C4'-P-C4' energy: -8.136
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -8.014
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: 8, replica: 5
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -90.134723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.134723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.134723 (E_RNA)
where:
Base-Base interactions energy: -33.312
where: short stacking energy: -24.086
Base-Backbone interact. energy: -0.311
local terms energy: -56.511814
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -4.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -83.631028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.631028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.631028 (E_RNA)
where:
Base-Base interactions energy: -40.099
where: short stacking energy: -16.546
Base-Backbone interact. energy: -0.198
local terms energy: -43.333991
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -10.172
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: 1.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -82.570138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.570138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.570138 (E_RNA)
where:
Base-Base interactions energy: -39.742
where: short stacking energy: -28.727
Base-Backbone interact. energy: -0.536
local terms energy: -42.292698
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -3.675
tors. eta vs tors. theta energy: -1.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -222.208187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.208187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.208187 (E_RNA)
where:
Base-Base interactions energy: -143.033
where: short stacking energy: -67.270
Base-Backbone interact. energy: -0.005
local terms energy: -79.170435
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -18.553
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -21.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -210.052153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.052153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.052153 (E_RNA)
where:
Base-Base interactions energy: -130.600
where: short stacking energy: -68.313
Base-Backbone interact. energy: -0.002
local terms energy: -79.450259
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -18.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -187.953331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.953331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.953331 (E_RNA)
where:
Base-Base interactions energy: -121.082
where: short stacking energy: -54.910
Base-Backbone interact. energy: -0.086
local terms energy: -66.785668
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -4.537
tors. eta vs tors. theta energy: -16.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -187.281755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.281755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.281755 (E_RNA)
where:
Base-Base interactions energy: -110.196
where: short stacking energy: -62.087
Base-Backbone interact. energy: -1.055
local terms energy: -76.031159
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -8.047
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: 5, replica: 6
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -183.504003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.504003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.504003 (E_RNA)
where:
Base-Base interactions energy: -121.323
where: short stacking energy: -46.158
Base-Backbone interact. energy: -0.234
local terms energy: -61.946581
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -10.109
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -15.586
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: 6, replica: 2
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -156.811207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.811207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.811207 (E_RNA)
where:
Base-Base interactions energy: -100.005
where: short stacking energy: -48.013
Base-Backbone interact. energy: 1.026
local terms energy: -57.831792
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -7.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -146.909166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.909166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.909166 (E_RNA)
where:
Base-Base interactions energy: -86.037
where: short stacking energy: -38.216
Base-Backbone interact. energy: -0.079
local terms energy: -60.793074
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -7.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -78.791731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.791731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.791731 (E_RNA)
where:
Base-Base interactions energy: -21.116
where: short stacking energy: -21.116
Base-Backbone interact. energy: -0.011
local terms energy: -57.664876
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -3.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -82.894684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.894684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.894684 (E_RNA)
where:
Base-Base interactions energy: -28.990
where: short stacking energy: -28.895
Base-Backbone interact. energy: -0.251
local terms energy: -53.653591
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -2.314
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: 8
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -79.260793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.260793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.260793 (E_RNA)
where:
Base-Base interactions energy: -25.015
where: short stacking energy: -23.242
Base-Backbone interact. energy: -0.386
local terms energy: -53.860134
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -10.724
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -4.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -218.675974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.675974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.675974 (E_RNA)
where:
Base-Base interactions energy: -144.512
where: short stacking energy: -64.694
Base-Backbone interact. energy: -0.295
local terms energy: -73.869335
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -17.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -193.549733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.549733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.549733 (E_RNA)
where:
Base-Base interactions energy: -114.867
where: short stacking energy: -67.862
Base-Backbone interact. energy: -0.068
local terms energy: -78.615036
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -21.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -202.792413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.792413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.792413 (E_RNA)
where:
Base-Base interactions energy: -134.722
where: short stacking energy: -72.140
Base-Backbone interact. energy: -0.001
local terms energy: -68.069719
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -14.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -194.556338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.556338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.556338 (E_RNA)
where:
Base-Base interactions energy: -121.571
where: short stacking energy: -69.679
Base-Backbone interact. energy: 1.635
local terms energy: -74.620229
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -22.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -183.107453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.107453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.107453 (E_RNA)
where:
Base-Base interactions energy: -120.316
where: short stacking energy: -45.191
Base-Backbone interact. energy: -0.480
local terms energy: -62.311424
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -15.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -148.907343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.907343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.907343 (E_RNA)
where:
Base-Base interactions energy: -95.700
where: short stacking energy: -44.073
Base-Backbone interact. energy: -0.586
local terms energy: -52.621994
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -11.688
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: -6.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -151.957588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.957588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.957588 (E_RNA)
where:
Base-Base interactions energy: -100.807
where: short stacking energy: -42.256
Base-Backbone interact. energy: -0.128
local terms energy: -51.022420
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -5.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -82.320013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.320013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.320013 (E_RNA)
where:
Base-Base interactions energy: -29.280
where: short stacking energy: -28.575
Base-Backbone interact. energy: -0.192
local terms energy: -52.848115
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -4.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -80.822604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.822604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.822604 (E_RNA)
where:
Base-Base interactions energy: -25.554
where: short stacking energy: -24.943
Base-Backbone interact. energy: -0.056
local terms energy: -55.212652
where:
bonds (distance) C4'-P energy: -8.555
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -7.960
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: 10, replica: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -74.124482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.124482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.124482 (E_RNA)
where:
Base-Base interactions energy: -26.440
where: short stacking energy: -14.455
Base-Backbone interact. energy: -0.549
local terms energy: -47.135497
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: 1.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -231.145827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.145827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.145827 (E_RNA)
where:
Base-Base interactions energy: -153.855
where: short stacking energy: -70.201
Base-Backbone interact. energy: -0.023
local terms energy: -77.267875
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -19.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -188.665832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.665832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.665832 (E_RNA)
where:
Base-Base interactions energy: -118.293
where: short stacking energy: -71.610
Base-Backbone interact. energy: -0.006
local terms energy: -70.367241
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -6.639
tors. eta vs tors. theta energy: -15.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -203.153882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.153882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.153882 (E_RNA)
where:
Base-Base interactions energy: -134.210
where: short stacking energy: -64.643
Base-Backbone interact. energy: -0.403
local terms energy: -68.540709
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -17.190
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: 102
Temperature: 1.050000
Total energy: -175.355154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.355154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.355154 (E_RNA)
where:
Base-Base interactions energy: -106.796
where: short stacking energy: -60.721
Base-Backbone interact. energy: -0.000
local terms energy: -68.559217
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -16.133
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: 2
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -148.960021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.960021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.960021 (E_RNA)
where:
Base-Base interactions energy: -96.755
where: short stacking energy: -48.420
Base-Backbone interact. energy: -0.103
local terms energy: -52.101152
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -9.948
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -7.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -162.874185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.874185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.874185 (E_RNA)
where:
Base-Base interactions energy: -98.496
where: short stacking energy: -54.768
Base-Backbone interact. energy: -0.001
local terms energy: -64.377315
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -12.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -132.960360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.960360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.960360 (E_RNA)
where:
Base-Base interactions energy: -82.490
where: short stacking energy: -30.102
Base-Backbone interact. energy: -1.457
local terms energy: -49.013799
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -6.317
tors. eta vs tors. theta energy: -1.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -88.711410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.711410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.711410 (E_RNA)
where:
Base-Base interactions energy: -37.049
where: short stacking energy: -32.193
Base-Backbone interact. energy: -0.208
local terms energy: -51.454119
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -10.302
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -5.636
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: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -96.009673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.009673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.009673 (E_RNA)
where:
Base-Base interactions energy: -51.208
where: short stacking energy: -33.316
Base-Backbone interact. energy: -0.011
local terms energy: -44.790255
where:
bonds (distance) C4'-P energy: -10.369
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -9.581
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -4.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -76.671278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.671278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.671278 (E_RNA)
where:
Base-Base interactions energy: -27.456
where: short stacking energy: -27.382
Base-Backbone interact. energy: -0.666
local terms energy: -48.549011
where:
bonds (distance) C4'-P energy: -9.677
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -4.653
tors. eta vs tors. theta energy: -1.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -218.527147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.527147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.527147 (E_RNA)
where:
Base-Base interactions energy: -156.288
where: short stacking energy: -54.332
Base-Backbone interact. energy: -1.015
local terms energy: -61.224667
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -11.981
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -15.927
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: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -197.344182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.344182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.344182 (E_RNA)
where:
Base-Base interactions energy: -122.249
where: short stacking energy: -57.777
Base-Backbone interact. energy: -0.078
local terms energy: -75.017462
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -13.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -184.763004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.763004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.763004 (E_RNA)
where:
Base-Base interactions energy: -115.350
where: short stacking energy: -62.562
Base-Backbone interact. energy: -0.855
local terms energy: -68.558219
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -15.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -170.394944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.394944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.394944 (E_RNA)
where:
Base-Base interactions energy: -105.774
where: short stacking energy: -51.371
Base-Backbone interact. energy: -0.009
local terms energy: -64.611526
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -15.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -138.788580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.788580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.788580 (E_RNA)
where:
Base-Base interactions energy: -84.642
where: short stacking energy: -41.165
Base-Backbone interact. energy: -1.252
local terms energy: -52.893724
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -3.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -162.774727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.774727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.774727 (E_RNA)
where:
Base-Base interactions energy: -105.990
where: short stacking energy: -59.478
Base-Backbone interact. energy: -0.024
local terms energy: -56.761249
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -3.895
tors. eta vs tors. theta energy: -15.921
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: 4
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -85.538351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.538351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.538351 (E_RNA)
where:
Base-Base interactions energy: -26.078
where: short stacking energy: -23.991
Base-Backbone interact. energy: 0.540
local terms energy: -60.000158
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -1.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -77.452547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.452547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.452547 (E_RNA)
where:
Base-Base interactions energy: -30.107
where: short stacking energy: -30.107
Base-Backbone interact. energy: -0.391
local terms energy: -46.954740
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -77.501704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.501704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.501704 (E_RNA)
where:
Base-Base interactions energy: -26.242
where: short stacking energy: -26.242
Base-Backbone interact. energy: -0.131
local terms energy: -51.127865
where:
bonds (distance) C4'-P energy: -5.554
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -2.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -86.811652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.811652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.811652 (E_RNA)
where:
Base-Base interactions energy: -28.680
where: short stacking energy: -26.568
Base-Backbone interact. energy: 0.114
local terms energy: -58.244953
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -11.012
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -10.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -216.906079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.906079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.906079 (E_RNA)
where:
Base-Base interactions energy: -144.002
where: short stacking energy: -68.648
Base-Backbone interact. energy: -0.002
local terms energy: -72.901815
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -11.578
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: 104
Temperature: 0.950000
Total energy: -215.077087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.077087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.077087 (E_RNA)
where:
Base-Base interactions energy: -145.437
where: short stacking energy: -52.102
Base-Backbone interact. energy: -1.380
local terms energy: -68.260460
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -17.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -201.401975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.401975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.401975 (E_RNA)
where:
Base-Base interactions energy: -121.420
where: short stacking energy: -72.643
Base-Backbone interact. energy: -0.508
local terms energy: -79.473984
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -21.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -164.131876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.131876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.131876 (E_RNA)
where:
Base-Base interactions energy: -91.977
where: short stacking energy: -49.431
Base-Backbone interact. energy: -0.057
local terms energy: -72.097061
where:
bonds (distance) C4'-P energy: -10.148
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -13.224
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: 5, replica: 3
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -160.352780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.352780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.352780 (E_RNA)
where:
Base-Base interactions energy: -101.104
where: short stacking energy: -42.317
Base-Backbone interact. energy: -0.195
local terms energy: -59.053738
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -5.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -144.371558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.371558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.371558 (E_RNA)
where:
Base-Base interactions energy: -86.780
where: short stacking energy: -42.191
Base-Backbone interact. energy: -0.089
local terms energy: -57.502919
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -7.606
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: 8
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -86.138319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.138319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.138319 (E_RNA)
where:
Base-Base interactions energy: -30.759
where: short stacking energy: -29.932
Base-Backbone interact. energy: -0.189
local terms energy: -55.190270
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -11.971
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -104.988016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.988016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.988016 (E_RNA)
where:
Base-Base interactions energy: -48.054
where: short stacking energy: -38.619
Base-Backbone interact. energy: -0.172
local terms energy: -56.761103
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -7.477
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: 9, replica: 5
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -78.955455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.955455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.955455 (E_RNA)
where:
Base-Base interactions energy: -30.268
where: short stacking energy: -21.149
Base-Backbone interact. energy: -0.067
local terms energy: -48.620579
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -8.249
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -4.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -85.396228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.396228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.396228 (E_RNA)
where:
Base-Base interactions energy: -30.750
where: short stacking energy: -30.356
Base-Backbone interact. energy: -0.972
local terms energy: -53.674550
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -7.562
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: 1
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -213.305778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.305778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.305778 (E_RNA)
where:
Base-Base interactions energy: -136.249
where: short stacking energy: -65.671
Base-Backbone interact. energy: -0.496
local terms energy: -76.561167
where:
bonds (distance) C4'-P energy: -17.158
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -11.788
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: 2, replica: 10
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -192.726012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.726012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.726012 (E_RNA)
where:
Base-Base interactions energy: -127.144
where: short stacking energy: -59.453
Base-Backbone interact. energy: -1.575
local terms energy: -64.006909
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -8.566
flat angles P-C4'-P energy: -10.863
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: 7
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -216.538758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.538758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.538758 (E_RNA)
where:
Base-Base interactions energy: -149.371
where: short stacking energy: -60.208
Base-Backbone interact. energy: -2.112
local terms energy: -65.055250
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -17.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -172.980300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.980300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.980300 (E_RNA)
where:
Base-Base interactions energy: -100.995
where: short stacking energy: -49.167
Base-Backbone interact. energy: -0.080
local terms energy: -71.905504
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -14.704
tors. eta vs tors. theta energy: -10.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -179.078832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.078832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.078832 (E_RNA)
where:
Base-Base interactions energy: -112.864
where: short stacking energy: -66.891
Base-Backbone interact. energy: -0.131
local terms energy: -66.084311
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -16.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -137.520480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.520480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.520480 (E_RNA)
where:
Base-Base interactions energy: -76.535
where: short stacking energy: -45.574
Base-Backbone interact. energy: 0.589
local terms energy: -61.574354
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -7.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -92.216083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.216083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.216083 (E_RNA)
where:
Base-Base interactions energy: -44.141
where: short stacking energy: -34.718
Base-Backbone interact. energy: -0.073
local terms energy: -48.002371
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -8.574
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: 5
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -89.165304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.165304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.165304 (E_RNA)
where:
Base-Base interactions energy: -38.453
where: short stacking energy: -37.532
Base-Backbone interact. energy: -0.138
local terms energy: -50.573892
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -4.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -86.059206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.059206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.059206 (E_RNA)
where:
Base-Base interactions energy: -35.406
where: short stacking energy: -20.599
Base-Backbone interact. energy: -0.483
local terms energy: -50.170669
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -7.748
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -3.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -75.181274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.181274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.181274 (E_RNA)
where:
Base-Base interactions energy: -34.933
where: short stacking energy: -31.869
Base-Backbone interact. energy: -0.056
local terms energy: -40.191627
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -2.896
flat angles C4'-P-C4' energy: -7.935
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -2.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -212.533390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.533390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.533390 (E_RNA)
where:
Base-Base interactions energy: -138.872
where: short stacking energy: -66.651
Base-Backbone interact. energy: 0.583
local terms energy: -74.244910
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -13.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -194.062469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.062469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.062469 (E_RNA)
where:
Base-Base interactions energy: -120.636
where: short stacking energy: -51.746
Base-Backbone interact. energy: -0.620
local terms energy: -72.807085
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -17.767
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: 7
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -216.521831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.521831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.521831 (E_RNA)
where:
Base-Base interactions energy: -154.680
where: short stacking energy: -58.743
Base-Backbone interact. energy: -0.018
local terms energy: -61.824056
where:
bonds (distance) C4'-P energy: -8.870
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -5.876
tors. eta vs tors. theta energy: -15.588
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: 106
Temperature: 1.050000
Total energy: -186.401395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.401395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.401395 (E_RNA)
where:
Base-Base interactions energy: -117.249
where: short stacking energy: -58.186
Base-Backbone interact. energy: -0.255
local terms energy: -68.896785
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -18.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -172.283695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.283695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.283695 (E_RNA)
where:
Base-Base interactions energy: -109.885
where: short stacking energy: -59.579
Base-Backbone interact. energy: -0.002
local terms energy: -62.396189
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -6.642
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -10.825
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: 2
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -126.451528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.451528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.451528 (E_RNA)
where:
Base-Base interactions energy: -71.669
where: short stacking energy: -42.217
Base-Backbone interact. energy: -0.456
local terms energy: -54.326728
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -8.011
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: 7, replica: 8
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -83.126434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.126434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.126434 (E_RNA)
where:
Base-Base interactions energy: -27.868
where: short stacking energy: -27.868
Base-Backbone interact. energy: 0.105
local terms energy: -55.362810
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -13.344
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -9.942
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: 8, replica: 5
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -87.559051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.559051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.559051 (E_RNA)
where:
Base-Base interactions energy: -35.663
where: short stacking energy: -35.663
Base-Backbone interact. energy: -0.125
local terms energy: -51.770702
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -133.121148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.121148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.121148 (E_RNA)
where:
Base-Base interactions energy: -79.157
where: short stacking energy: -38.176
Base-Backbone interact. energy: -0.132
local terms energy: -53.832486
where:
bonds (distance) C4'-P energy: -8.420
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -9.535
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: 10, replica: 9
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -94.971171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.971171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.971171 (E_RNA)
where:
Base-Base interactions energy: -40.860
where: short stacking energy: -39.664
Base-Backbone interact. energy: -0.417
local terms energy: -53.694033
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -10.281
flat angles P-C4'-P energy: -5.657
tors. eta vs tors. theta energy: -9.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -215.123163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.123163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.123163 (E_RNA)
where:
Base-Base interactions energy: -142.429
where: short stacking energy: -63.528
Base-Backbone interact. energy: -0.206
local terms energy: -72.488174
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -10.439
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: 2, replica: 7
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -224.742013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.742013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.742013 (E_RNA)
where:
Base-Base interactions energy: -150.534
where: short stacking energy: -61.292
Base-Backbone interact. energy: -0.021
local terms energy: -74.187361
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -19.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -197.650099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.650099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.650099 (E_RNA)
where:
Base-Base interactions energy: -123.300
where: short stacking energy: -61.303
Base-Backbone interact. energy: -0.031
local terms energy: -74.318625
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -12.444
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -17.563
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: 6
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -176.830827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.830827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.830827 (E_RNA)
where:
Base-Base interactions energy: -110.586
where: short stacking energy: -60.384
Base-Backbone interact. energy: -0.346
local terms energy: -65.897950
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -14.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -160.678180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.678180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.678180 (E_RNA)
where:
Base-Base interactions energy: -101.205
where: short stacking energy: -51.796
Base-Backbone interact. energy: -0.007
local terms energy: -59.465918
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -6.111
tors. eta vs tors. theta energy: -15.641
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: 6, replica: 2
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -123.109564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.109564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.109564 (E_RNA)
where:
Base-Base interactions energy: -65.917
where: short stacking energy: -37.845
Base-Backbone interact. energy: -1.404
local terms energy: -55.789486
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -8.315
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: 7, replica: 8
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -86.014484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.014484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.014484 (E_RNA)
where:
Base-Base interactions energy: -30.596
where: short stacking energy: -30.596
Base-Backbone interact. energy: -0.068
local terms energy: -55.351057
where:
bonds (distance) C4'-P energy: -9.606
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -4.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -91.323235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.323235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.323235 (E_RNA)
where:
Base-Base interactions energy: -33.306
where: short stacking energy: -32.665
Base-Backbone interact. energy: -0.139
local terms energy: -57.878049
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -5.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -83.548443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.548443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.548443 (E_RNA)
where:
Base-Base interactions energy: -32.156
where: short stacking energy: -32.041
Base-Backbone interact. energy: -0.031
local terms energy: -51.361287
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -9.097
flat angles P-C4'-P energy: -5.761
tors. eta vs tors. theta energy: -6.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -79.743432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.743432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.743432 (E_RNA)
where:
Base-Base interactions energy: -34.140
where: short stacking energy: -19.578
Base-Backbone interact. energy: -1.182
local terms energy: -44.420825
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -10.081
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: 2.463
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: 7
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -227.916740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.916740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.916740 (E_RNA)
where:
Base-Base interactions energy: -147.247
where: short stacking energy: -67.992
Base-Backbone interact. energy: -0.762
local terms energy: -79.907347
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -12.469
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: 2, replica: 1
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -205.985666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.985666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.985666 (E_RNA)
where:
Base-Base interactions energy: -137.193
where: short stacking energy: -66.544
Base-Backbone interact. energy: -0.138
local terms energy: -68.655187
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -19.660
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: 3, replica: 6
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -177.333371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.333371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.333371 (E_RNA)
where:
Base-Base interactions energy: -107.516
where: short stacking energy: -52.017
Base-Backbone interact. energy: -0.932
local terms energy: -68.884850
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -12.013
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -12.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -186.589517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.589517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.589517 (E_RNA)
where:
Base-Base interactions energy: -123.485
where: short stacking energy: -59.093
Base-Backbone interact. energy: -0.704
local terms energy: -62.399775
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -15.662
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: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -158.049022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.049022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.049022 (E_RNA)
where:
Base-Base interactions energy: -96.402
where: short stacking energy: -49.939
Base-Backbone interact. energy: -0.227
local terms energy: -61.420591
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -10.502
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -8.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -146.049235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.049235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.049235 (E_RNA)
where:
Base-Base interactions energy: -83.472
where: short stacking energy: -41.333
Base-Backbone interact. energy: -0.587
local terms energy: -61.991007
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -9.689
flat angles P-C4'-P energy: -10.649
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: 7, replica: 8
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -93.355478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.355478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.355478 (E_RNA)
where:
Base-Base interactions energy: -35.453
where: short stacking energy: -27.821
Base-Backbone interact. energy: -0.189
local terms energy: -57.713147
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -15.817
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -7.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -81.871043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.871043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.871043 (E_RNA)
where:
Base-Base interactions energy: -32.871
where: short stacking energy: -32.871
Base-Backbone interact. energy: -0.342
local terms energy: -48.658261
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -10.930
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -5.989
tors. eta vs tors. theta energy: -5.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -95.046045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.046045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.046045 (E_RNA)
where:
Base-Base interactions energy: -48.810
where: short stacking energy: -31.145
Base-Backbone interact. energy: 0.833
local terms energy: -47.069029
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -7.102
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -0.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -77.575509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.575509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.575509 (E_RNA)
where:
Base-Base interactions energy: -27.242
where: short stacking energy: -22.920
Base-Backbone interact. energy: -0.510
local terms energy: -49.823724
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -8.194
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: 7
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -221.263037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.263037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.263037 (E_RNA)
where:
Base-Base interactions energy: -145.303
where: short stacking energy: -63.198
Base-Backbone interact. energy: -0.720
local terms energy: -75.239894
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -21.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -212.863549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.863549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.863549 (E_RNA)
where:
Base-Base interactions energy: -138.480
where: short stacking energy: -69.128
Base-Backbone interact. energy: -0.010
local terms energy: -74.373938
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -19.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -187.121792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.121792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.121792 (E_RNA)
where:
Base-Base interactions energy: -111.499
where: short stacking energy: -60.023
Base-Backbone interact. energy: -0.149
local terms energy: -75.473620
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -12.735
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: 4, replica: 10
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -166.003047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.003047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.003047 (E_RNA)
where:
Base-Base interactions energy: -99.123
where: short stacking energy: -55.302
Base-Backbone interact. energy: -0.004
local terms energy: -66.875934
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -12.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -168.657594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.657594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.657594 (E_RNA)
where:
Base-Base interactions energy: -99.989
where: short stacking energy: -52.824
Base-Backbone interact. energy: -0.363
local terms energy: -68.305575
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -16.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -137.126733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.126733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.126733 (E_RNA)
where:
Base-Base interactions energy: -76.063
where: short stacking energy: -33.916
Base-Backbone interact. energy: -0.181
local terms energy: -60.883717
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -11.791
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -10.993
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: 7, replica: 8
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -87.732481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.732481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.732481 (E_RNA)
where:
Base-Base interactions energy: -30.003
where: short stacking energy: -28.386
Base-Backbone interact. energy: -0.463
local terms energy: -57.265987
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -5.866
tors. eta vs tors. theta energy: -4.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -88.388881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.388881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.388881 (E_RNA)
where:
Base-Base interactions energy: -31.823
where: short stacking energy: -31.206
Base-Backbone interact. energy: -1.315
local terms energy: -55.250731
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -9.224
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -3.794
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: 4
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -79.013954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.013954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.013954 (E_RNA)
where:
Base-Base interactions energy: -31.462
where: short stacking energy: -17.490
Base-Backbone interact. energy: -0.214
local terms energy: -47.338743
where:
bonds (distance) C4'-P energy: -9.517
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: 0.611
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: 10, replica: 5
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -83.257981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.257981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.257981 (E_RNA)
where:
Base-Base interactions energy: -29.032
where: short stacking energy: -28.777
Base-Backbone interact. energy: -0.185
local terms energy: -54.040709
where:
bonds (distance) C4'-P energy: -8.518
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -7.241
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: 1, replica: 7
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -228.711847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.711847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.711847 (E_RNA)
where:
Base-Base interactions energy: -150.791
where: short stacking energy: -73.576
Base-Backbone interact. energy: -0.217
local terms energy: -77.704162
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -20.431
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: 1
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -196.806955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.806955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.806955 (E_RNA)
where:
Base-Base interactions energy: -132.678
where: short stacking energy: -62.552
Base-Backbone interact. energy: 0.588
local terms energy: -64.716904
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -17.117
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -12.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -196.221720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.221720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.221720 (E_RNA)
where:
Base-Base interactions energy: -117.812
where: short stacking energy: -62.127
Base-Backbone interact. energy: -1.290
local terms energy: -77.119808
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -18.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -160.621016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.621016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.621016 (E_RNA)
where:
Base-Base interactions energy: -100.476
where: short stacking energy: -48.387
Base-Backbone interact. energy: -0.034
local terms energy: -60.111483
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -10.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -151.231862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.231862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.231862 (E_RNA)
where:
Base-Base interactions energy: -92.607
where: short stacking energy: -49.427
Base-Backbone interact. energy: -0.043
local terms energy: -58.581397
where:
bonds (distance) C4'-P energy: -7.108
bonds (distance) P-C4' energy: -8.749
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -15.482
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: 3
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -157.580742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.580742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.580742 (E_RNA)
where:
Base-Base interactions energy: -98.951
where: short stacking energy: -52.167
Base-Backbone interact. energy: -0.152
local terms energy: -58.478520
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -10.299
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -12.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -88.933039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.933039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.933039 (E_RNA)
where:
Base-Base interactions energy: -42.749
where: short stacking energy: -32.138
Base-Backbone interact. energy: -0.084
local terms energy: -46.100199
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -6.662
flat angles C4'-P-C4' energy: -11.096
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -3.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -85.479717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.479717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.479717 (E_RNA)
where:
Base-Base interactions energy: -34.080
where: short stacking energy: -33.866
Base-Backbone interact. energy: -0.096
local terms energy: -51.303065
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -6.829
tors. eta vs tors. theta energy: -0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -80.081541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.081541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.081541 (E_RNA)
where:
Base-Base interactions energy: -24.494
where: short stacking energy: -21.333
Base-Backbone interact. energy: -0.353
local terms energy: -55.234712
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -3.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -81.862399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.862399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.862399 (E_RNA)
where:
Base-Base interactions energy: -39.999
where: short stacking energy: -33.117
Base-Backbone interact. energy: -0.351
local terms energy: -41.512156
where:
bonds (distance) C4'-P energy: -10.428
bonds (distance) P-C4' energy: -6.764
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -3.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -221.452933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.452933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.452933 (E_RNA)
where:
Base-Base interactions energy: -142.995
where: short stacking energy: -67.920
Base-Backbone interact. energy: 0.345
local terms energy: -78.802853
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -17.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -188.203037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.203037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.203037 (E_RNA)
where:
Base-Base interactions energy: -116.421
where: short stacking energy: -55.314
Base-Backbone interact. energy: -0.046
local terms energy: -71.736291
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -15.412
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: 3, replica: 1
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -186.953743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.953743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.953743 (E_RNA)
where:
Base-Base interactions energy: -121.293
where: short stacking energy: -44.890
Base-Backbone interact. energy: -0.808
local terms energy: -64.852181
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -11.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -157.959565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.959565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.959565 (E_RNA)
where:
Base-Base interactions energy: -93.201
where: short stacking energy: -50.137
Base-Backbone interact. energy: -0.163
local terms energy: -64.595316
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -11.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -149.673787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.673787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.673787 (E_RNA)
where:
Base-Base interactions energy: -94.077
where: short stacking energy: -43.125
Base-Backbone interact. energy: 0.970
local terms energy: -56.567266
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -5.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -162.781343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.781343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.781343 (E_RNA)
where:
Base-Base interactions energy: -93.301
where: short stacking energy: -46.799
Base-Backbone interact. energy: -0.906
local terms energy: -68.574332
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -12.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -101.174323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.174323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.174323 (E_RNA)
where:
Base-Base interactions energy: -45.348
where: short stacking energy: -28.713
Base-Backbone interact. energy: -0.275
local terms energy: -55.551193
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -10.703
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -7.985
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: 5
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -77.065667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.065667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.065667 (E_RNA)
where:
Base-Base interactions energy: -38.888
where: short stacking energy: -33.256
Base-Backbone interact. energy: -0.155
local terms energy: -38.023015
where:
bonds (distance) C4'-P energy: -10.250
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: 1.785
tors. eta vs tors. theta energy: -3.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -82.531322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.531322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.531322 (E_RNA)
where:
Base-Base interactions energy: -37.095
where: short stacking energy: -27.807
Base-Backbone interact. energy: -0.121
local terms energy: -45.316150
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -4.593
tors. eta vs tors. theta energy: -2.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -72.882414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.882414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.882414 (E_RNA)
where:
Base-Base interactions energy: -24.905
where: short stacking energy: -20.932
Base-Backbone interact. energy: -0.065
local terms energy: -47.912925
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -9.839
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -3.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -217.661658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.661658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.661658 (E_RNA)
where:
Base-Base interactions energy: -137.249
where: short stacking energy: -64.066
Base-Backbone interact. energy: -0.055
local terms energy: -80.357672
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -11.939
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: 2, replica: 6
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -181.170481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.170481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.170481 (E_RNA)
where:
Base-Base interactions energy: -114.670
where: short stacking energy: -58.405
Base-Backbone interact. energy: -0.392
local terms energy: -66.108908
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -8.601
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: 3, replica: 1
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -186.312561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.312561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.312561 (E_RNA)
where:
Base-Base interactions energy: -119.890
where: short stacking energy: -50.792
Base-Backbone interact. energy: -0.037
local terms energy: -66.385484
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -11.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -158.676120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.676120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.676120 (E_RNA)
where:
Base-Base interactions energy: -86.179
where: short stacking energy: -48.646
Base-Backbone interact. energy: -0.007
local terms energy: -72.489873
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -18.920
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -10.986
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: 5, replica: 3
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -151.334823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.334823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.334823 (E_RNA)
where:
Base-Base interactions energy: -97.203
where: short stacking energy: -49.575
Base-Backbone interact. energy: -1.404
local terms energy: -52.727915
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -3.705
tors. eta vs tors. theta energy: -7.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -146.952477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.952477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.952477 (E_RNA)
where:
Base-Base interactions energy: -83.457
where: short stacking energy: -37.426
Base-Backbone interact. energy: -0.541
local terms energy: -62.953979
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -10.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -112.673983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.673983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.673983 (E_RNA)
where:
Base-Base interactions energy: -47.667
where: short stacking energy: -47.667
Base-Backbone interact. energy: 1.471
local terms energy: -66.477686
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -10.041
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: 8, replica: 5
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -82.966090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.966090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.966090 (E_RNA)
where:
Base-Base interactions energy: -31.249
where: short stacking energy: -31.249
Base-Backbone interact. energy: -0.176
local terms energy: -51.540181
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -10.270
flat angles C4'-P-C4' energy: -10.083
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -8.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -81.298525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.298525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.298525 (E_RNA)
where:
Base-Base interactions energy: -27.340
where: short stacking energy: -23.821
Base-Backbone interact. energy: -0.556
local terms energy: -53.402611
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -4.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -77.430406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.430406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.430406 (E_RNA)
where:
Base-Base interactions energy: -23.281
where: short stacking energy: -19.696
Base-Backbone interact. energy: -0.093
local terms energy: -54.056574
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -11.896
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -8.024
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: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -225.552599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.552599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.552599 (E_RNA)
where:
Base-Base interactions energy: -145.317
where: short stacking energy: -68.215
Base-Backbone interact. energy: -2.235
local terms energy: -78.000033
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -19.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -180.677715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.677715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.677715 (E_RNA)
where:
Base-Base interactions energy: -124.548
where: short stacking energy: -56.801
Base-Backbone interact. energy: 0.212
local terms energy: -56.341992
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: -7.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -184.950383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.950383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.950383 (E_RNA)
where:
Base-Base interactions energy: -123.747
where: short stacking energy: -66.656
Base-Backbone interact. energy: -0.290
local terms energy: -60.914121
where:
bonds (distance) C4'-P energy: -9.282
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -15.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -168.347120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.347120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.347120 (E_RNA)
where:
Base-Base interactions energy: -97.248
where: short stacking energy: -44.304
Base-Backbone interact. energy: -0.030
local terms energy: -71.068566
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -13.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -160.218787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.218787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.218787 (E_RNA)
where:
Base-Base interactions energy: -96.077
where: short stacking energy: -56.435
Base-Backbone interact. energy: -0.624
local terms energy: -63.517773
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -11.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -154.194879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.194879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.194879 (E_RNA)
where:
Base-Base interactions energy: -89.099
where: short stacking energy: -42.005
Base-Backbone interact. energy: -0.667
local terms energy: -64.429245
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -19.364
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -5.814
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: 9
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -90.824782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.824782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.824782 (E_RNA)
where:
Base-Base interactions energy: -44.466
where: short stacking energy: -24.872
Base-Backbone interact. energy: -0.534
local terms energy: -45.824920
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -6.799
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -5.455
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: 4
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -83.215004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.215004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.215004 (E_RNA)
where:
Base-Base interactions energy: -34.261
where: short stacking energy: -26.981
Base-Backbone interact. energy: -1.515
local terms energy: -47.439372
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -11.136
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -0.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -78.019559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.019559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.019559 (E_RNA)
where:
Base-Base interactions energy: -29.011
where: short stacking energy: -23.834
Base-Backbone interact. energy: 0.191
local terms energy: -49.199549
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -11.673
flat angles P-C4'-P energy: -9.820
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: 10, replica: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -74.386518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.386518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.386518 (E_RNA)
where:
Base-Base interactions energy: -27.601
where: short stacking energy: -27.519
Base-Backbone interact. energy: -0.244
local terms energy: -46.541689
where:
bonds (distance) C4'-P energy: -7.702
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -1.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -219.746819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.746819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.746819 (E_RNA)
where:
Base-Base interactions energy: -145.648
where: short stacking energy: -67.053
Base-Backbone interact. energy: -0.105
local terms energy: -73.993845
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -8.507
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: 2, replica: 1
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -195.625488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.625488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.625488 (E_RNA)
where:
Base-Base interactions energy: -121.901
where: short stacking energy: -51.864
Base-Backbone interact. energy: -0.311
local terms energy: -73.413410
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -12.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -180.105990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.105990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.105990 (E_RNA)
where:
Base-Base interactions energy: -111.279
where: short stacking energy: -64.476
Base-Backbone interact. energy: -0.255
local terms energy: -68.572226
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -14.204
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: 4, replica: 10
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -164.007428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.007428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.007428 (E_RNA)
where:
Base-Base interactions energy: -95.714
where: short stacking energy: -59.572
Base-Backbone interact. energy: -0.051
local terms energy: -68.242273
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -16.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -168.832039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.832039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.832039 (E_RNA)
where:
Base-Base interactions energy: -97.524
where: short stacking energy: -50.712
Base-Backbone interact. energy: -0.021
local terms energy: -71.286655
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -13.439
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: 6, replica: 2
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -182.467634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.467634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.467634 (E_RNA)
where:
Base-Base interactions energy: -118.021
where: short stacking energy: -55.740
Base-Backbone interact. energy: 0.310
local terms energy: -64.756600
where:
bonds (distance) C4'-P energy: -10.102
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -14.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -99.680710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.680710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.680710 (E_RNA)
where:
Base-Base interactions energy: -40.890
where: short stacking energy: -38.914
Base-Backbone interact. energy: -0.166
local terms energy: -58.624859
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -6.939
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: 8, replica: 9
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -88.418673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.418673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.418673 (E_RNA)
where:
Base-Base interactions energy: -38.927
where: short stacking energy: -33.980
Base-Backbone interact. energy: -0.127
local terms energy: -49.364359
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -9.692
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -2.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -85.987449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.987449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.987449 (E_RNA)
where:
Base-Base interactions energy: -32.379
where: short stacking energy: -23.153
Base-Backbone interact. energy: -0.222
local terms energy: -53.386644
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -12.325
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -7.146
tors. eta vs tors. theta energy: -3.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -83.280497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.280497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.280497 (E_RNA)
where:
Base-Base interactions energy: -29.764
where: short stacking energy: -27.059
Base-Backbone interact. energy: -0.122
local terms energy: -53.394033
where:
bonds (distance) C4'-P energy: -9.345
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -5.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -222.895973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.895973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.895973 (E_RNA)
where:
Base-Base interactions energy: -153.314
where: short stacking energy: -58.603
Base-Backbone interact. energy: -0.469
local terms energy: -69.112166
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -15.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -200.960470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.960470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.960470 (E_RNA)
where:
Base-Base interactions energy: -145.573
where: short stacking energy: -54.975
Base-Backbone interact. energy: -0.572
local terms energy: -54.815003
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -8.846
flat angles C4'-P-C4' energy: -8.038
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -11.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -170.020201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.020201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.020201 (E_RNA)
where:
Base-Base interactions energy: -106.702
where: short stacking energy: -55.358
Base-Backbone interact. energy: -0.130
local terms energy: -63.188429
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -10.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -175.774060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.774060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.774060 (E_RNA)
where:
Base-Base interactions energy: -104.165
where: short stacking energy: -54.067
Base-Backbone interact. energy: 0.953
local terms energy: -72.561980
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -13.974
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: 10
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -174.247681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.247681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.247681 (E_RNA)
where:
Base-Base interactions energy: -115.204
where: short stacking energy: -53.296
Base-Backbone interact. energy: -0.194
local terms energy: -58.849565
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -4.664
tors. eta vs tors. theta energy: -9.239
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: 6, replica: 2
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -178.531968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.531968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.531968 (E_RNA)
where:
Base-Base interactions energy: -112.784
where: short stacking energy: -48.891
Base-Backbone interact. energy: -1.159
local terms energy: -64.589121
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -17.513
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: 7, replica: 4
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -109.450288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.450288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.450288 (E_RNA)
where:
Base-Base interactions energy: -56.372
where: short stacking energy: -36.059
Base-Backbone interact. energy: -1.023
local terms energy: -52.054682
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -9.602
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -8.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -75.454633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.454633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.454633 (E_RNA)
where:
Base-Base interactions energy: -23.799
where: short stacking energy: -23.799
Base-Backbone interact. energy: -0.116
local terms energy: -51.539132
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -8.885
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -2.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -73.830423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.830423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.830423 (E_RNA)
where:
Base-Base interactions energy: -24.400
where: short stacking energy: -24.400
Base-Backbone interact. energy: -0.071
local terms energy: -49.359264
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -4.355
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -4.824
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: 5
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -74.447002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.447002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.447002 (E_RNA)
where:
Base-Base interactions energy: -21.690
where: short stacking energy: -20.053
Base-Backbone interact. energy: -0.151
local terms energy: -52.605718
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -0.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -221.424564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.424564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.424564 (E_RNA)
where:
Base-Base interactions energy: -146.767
where: short stacking energy: -60.652
Base-Backbone interact. energy: -0.014
local terms energy: -74.643875
where:
bonds (distance) C4'-P energy: -11.322
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -11.152
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: 1
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -205.054659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.054659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.054659 (E_RNA)
where:
Base-Base interactions energy: -138.293
where: short stacking energy: -55.135
Base-Backbone interact. energy: -0.256
local terms energy: -66.505821
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -8.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -176.043555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.043555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.043555 (E_RNA)
where:
Base-Base interactions energy: -113.145
where: short stacking energy: -64.751
Base-Backbone interact. energy: -0.445
local terms energy: -62.453535
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -5.248
tors. eta vs tors. theta energy: -18.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -165.073817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.073817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.073817 (E_RNA)
where:
Base-Base interactions energy: -103.646
where: short stacking energy: -55.188
Base-Backbone interact. energy: -0.383
local terms energy: -61.044763
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -10.145
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: 2
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -155.251854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.251854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.251854 (E_RNA)
where:
Base-Base interactions energy: -89.144
where: short stacking energy: -50.548
Base-Backbone interact. energy: -0.091
local terms energy: -66.016711
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -11.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -149.995492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.995492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.995492 (E_RNA)
where:
Base-Base interactions energy: -93.496
where: short stacking energy: -40.109
Base-Backbone interact. energy: -0.942
local terms energy: -55.557385
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -10.883
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -9.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -101.741218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.741218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.741218 (E_RNA)
where:
Base-Base interactions energy: -45.602
where: short stacking energy: -41.961
Base-Backbone interact. energy: -0.237
local terms energy: -55.902876
where:
bonds (distance) C4'-P energy: -8.522
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -10.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -81.723943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.723943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.723943 (E_RNA)
where:
Base-Base interactions energy: -42.888
where: short stacking energy: -26.655
Base-Backbone interact. energy: -0.270
local terms energy: -38.565296
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -4.851
tors. eta vs tors. theta energy: 1.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -80.820648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.820648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.820648 (E_RNA)
where:
Base-Base interactions energy: -47.492
where: short stacking energy: -21.225
Base-Backbone interact. energy: -0.532
local terms energy: -32.797218
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -7.942
flat angles P-C4'-P energy: -0.502
tors. eta vs tors. theta energy: 2.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -85.481877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.481877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.481877 (E_RNA)
where:
Base-Base interactions energy: -41.449
where: short stacking energy: -41.449
Base-Backbone interact. energy: 3.639
local terms energy: -47.672020
where:
bonds (distance) C4'-P energy: -8.366
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -4.337
tors. eta vs tors. theta energy: -6.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -225.285079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.285079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.285079 (E_RNA)
where:
Base-Base interactions energy: -148.863
where: short stacking energy: -54.514
Base-Backbone interact. energy: -0.996
local terms energy: -75.426335
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -11.229
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: 2, replica: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -208.817874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.817874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.817874 (E_RNA)
where:
Base-Base interactions energy: -143.295
where: short stacking energy: -56.475
Base-Backbone interact. energy: -0.536
local terms energy: -64.986563
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -9.457
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: 6
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -178.758603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.758603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.758603 (E_RNA)
where:
Base-Base interactions energy: -111.740
where: short stacking energy: -50.073
Base-Backbone interact. energy: -0.572
local terms energy: -66.447042
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -10.716
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -12.075
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: 3
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -191.954113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.954113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.954113 (E_RNA)
where:
Base-Base interactions energy: -119.616
where: short stacking energy: -68.346
Base-Backbone interact. energy: -0.633
local terms energy: -71.705609
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -17.999
flat angles P-C4'-P energy: -4.356
tors. eta vs tors. theta energy: -20.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -155.981880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.981880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.981880 (E_RNA)
where:
Base-Base interactions energy: -95.939
where: short stacking energy: -55.131
Base-Backbone interact. energy: -0.001
local terms energy: -60.042209
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -14.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -139.559304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.559304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.559304 (E_RNA)
where:
Base-Base interactions energy: -74.959
where: short stacking energy: -45.924
Base-Backbone interact. energy: -0.115
local terms energy: -64.485535
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -9.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -89.319598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.319598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.319598 (E_RNA)
where:
Base-Base interactions energy: -29.297
where: short stacking energy: -29.117
Base-Backbone interact. energy: 0.006
local terms energy: -60.029088
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -10.584
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -4.830
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: 5
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -90.951258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.951258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.951258 (E_RNA)
where:
Base-Base interactions energy: -36.995
where: short stacking energy: -33.891
Base-Backbone interact. energy: -0.327
local terms energy: -53.628582
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -8.935
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: 9, replica: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -83.722927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.722927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.722927 (E_RNA)
where:
Base-Base interactions energy: -27.333
where: short stacking energy: -24.443
Base-Backbone interact. energy: -0.251
local terms energy: -56.138783
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -1.390
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: 117
Temperature: 1.350000
Total energy: -77.157074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.157074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.157074 (E_RNA)
where:
Base-Base interactions energy: -25.342
where: short stacking energy: -25.342
Base-Backbone interact. energy: -0.078
local terms energy: -51.737414
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -222.803466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.803466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.803466 (E_RNA)
where:
Base-Base interactions energy: -147.617
where: short stacking energy: -57.669
Base-Backbone interact. energy: -0.718
local terms energy: -74.467800
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -21.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -201.294309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.294309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.294309 (E_RNA)
where:
Base-Base interactions energy: -131.005
where: short stacking energy: -48.001
Base-Backbone interact. energy: -0.871
local terms energy: -69.418214
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -13.016
tors. eta vs tors. theta energy: -7.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -180.281403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.281403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.281403 (E_RNA)
where:
Base-Base interactions energy: -110.890
where: short stacking energy: -59.049
Base-Backbone interact. energy: -0.835
local terms energy: -68.556001
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -11.267
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: 4, replica: 6
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -174.389475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.389475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.389475 (E_RNA)
where:
Base-Base interactions energy: -106.918
where: short stacking energy: -63.061
Base-Backbone interact. energy: -0.296
local terms energy: -67.175291
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -15.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -162.672323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.672323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.672323 (E_RNA)
where:
Base-Base interactions energy: -107.699
where: short stacking energy: -50.238
Base-Backbone interact. energy: -0.268
local terms energy: -54.705597
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -12.083
flat angles C4'-P-C4' energy: -6.644
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -12.686
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: 6, replica: 10
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -124.509701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.509701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.509701 (E_RNA)
where:
Base-Base interactions energy: -72.486
where: short stacking energy: -43.737
Base-Backbone interact. energy: -0.640
local terms energy: -51.384074
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -10.668
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -9.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -89.636839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.636839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.636839 (E_RNA)
where:
Base-Base interactions energy: -35.044
where: short stacking energy: -31.888
Base-Backbone interact. energy: 0.788
local terms energy: -55.380687
where:
bonds (distance) C4'-P energy: -8.980
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -5.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -85.925061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.925061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.925061 (E_RNA)
where:
Base-Base interactions energy: -38.767
where: short stacking energy: -33.309
Base-Backbone interact. energy: -0.750
local terms energy: -46.408510
where:
bonds (distance) C4'-P energy: -6.788
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -3.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -80.633846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.633846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.633846 (E_RNA)
where:
Base-Base interactions energy: -33.844
where: short stacking energy: -30.229
Base-Backbone interact. energy: -1.023
local terms energy: -45.766395
where:
bonds (distance) C4'-P energy: -9.329
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -3.413
tors. eta vs tors. theta energy: -2.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -77.822049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.822049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.822049 (E_RNA)
where:
Base-Base interactions energy: -25.068
where: short stacking energy: -24.056
Base-Backbone interact. energy: -0.167
local terms energy: -52.586932
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -10.454
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -3.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -228.343233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.343233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.343233 (E_RNA)
where:
Base-Base interactions energy: -149.796
where: short stacking energy: -79.079
Base-Backbone interact. energy: -0.008
local terms energy: -78.539093
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -23.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -192.598527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.598527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.598527 (E_RNA)
where:
Base-Base interactions energy: -118.569
where: short stacking energy: -63.094
Base-Backbone interact. energy: -0.912
local terms energy: -73.117673
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -18.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -204.870575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.870575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.870575 (E_RNA)
where:
Base-Base interactions energy: -134.682
where: short stacking energy: -68.695
Base-Backbone interact. energy: -0.112
local terms energy: -70.076133
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -14.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -167.742398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.742398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.742398 (E_RNA)
where:
Base-Base interactions energy: -101.044
where: short stacking energy: -58.478
Base-Backbone interact. energy: -0.103
local terms energy: -66.595533
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -11.627
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -7.214
tors. eta vs tors. theta energy: -16.567
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: 6
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -168.472282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.472282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.472282 (E_RNA)
where:
Base-Base interactions energy: -107.963
where: short stacking energy: -49.798
Base-Backbone interact. energy: -0.054
local terms energy: -60.454383
where:
bonds (distance) C4'-P energy: -9.486
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -11.471
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: 6, replica: 10
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -99.544984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.544984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.544984 (E_RNA)
where:
Base-Base interactions energy: -43.180
where: short stacking energy: -36.571
Base-Backbone interact. energy: -0.031
local terms energy: -56.333705
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -9.270
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -8.524
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: 7, replica: 5
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -90.206139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.206139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.206139 (E_RNA)
where:
Base-Base interactions energy: -33.414
where: short stacking energy: -33.414
Base-Backbone interact. energy: 0.019
local terms energy: -56.811286
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -4.228
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: 8
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -92.488839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.488839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.488839 (E_RNA)
where:
Base-Base interactions energy: -39.848
where: short stacking energy: -38.112
Base-Backbone interact. energy: 2.196
local terms energy: -54.836580
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -4.037
tors. eta vs tors. theta energy: -5.647
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: 4
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -85.046766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.046766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.046766 (E_RNA)
where:
Base-Base interactions energy: -37.380
where: short stacking energy: -35.641
Base-Backbone interact. energy: 3.050
local terms energy: -50.715967
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -5.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -77.949997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.949997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.949997 (E_RNA)
where:
Base-Base interactions energy: -32.592
where: short stacking energy: -27.456
Base-Backbone interact. energy: -0.162
local terms energy: -45.195786
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -9.801
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: 1.142
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: 3
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -194.768258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.768258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.768258 (E_RNA)
where:
Base-Base interactions energy: -121.483
where: short stacking energy: -66.911
Base-Backbone interact. energy: -0.558
local terms energy: -72.726882
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -18.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -213.132663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.132663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.132663 (E_RNA)
where:
Base-Base interactions energy: -138.026
where: short stacking energy: -61.513
Base-Backbone interact. energy: 0.271
local terms energy: -75.377576
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -16.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -191.204402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.204402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.204402 (E_RNA)
where:
Base-Base interactions energy: -124.756
where: short stacking energy: -49.474
Base-Backbone interact. energy: -1.131
local terms energy: -65.317062
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -13.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -192.361480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.361480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.361480 (E_RNA)
where:
Base-Base interactions energy: -143.892
where: short stacking energy: -49.679
Base-Backbone interact. energy: -0.146
local terms energy: -48.323719
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -2.857
tors. eta vs tors. theta energy: -8.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -145.987631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.987631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.987631 (E_RNA)
where:
Base-Base interactions energy: -89.994
where: short stacking energy: -44.032
Base-Backbone interact. energy: 0.277
local terms energy: -56.270119
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -6.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -118.045093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.045093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.045093 (E_RNA)
where:
Base-Base interactions energy: -45.002
where: short stacking energy: -45.002
Base-Backbone interact. energy: -0.029
local terms energy: -73.013848
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -15.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -92.479414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.479414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.479414 (E_RNA)
where:
Base-Base interactions energy: -37.922
where: short stacking energy: -27.854
Base-Backbone interact. energy: -1.320
local terms energy: -53.237407
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -86.905311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.905311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.905311 (E_RNA)
where:
Base-Base interactions energy: -37.706
where: short stacking energy: -30.010
Base-Backbone interact. energy: -0.203
local terms energy: -48.995965
where:
bonds (distance) C4'-P energy: -9.143
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -3.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -75.511348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.511348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.511348 (E_RNA)
where:
Base-Base interactions energy: -29.649
where: short stacking energy: -21.242
Base-Backbone interact. energy: -0.327
local terms energy: -45.535191
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -8.976
flat angles P-C4'-P energy: -6.271
tors. eta vs tors. theta energy: 0.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -71.334089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.334089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.334089 (E_RNA)
where:
Base-Base interactions energy: -31.567
where: short stacking energy: -30.184
Base-Backbone interact. energy: -0.092
local terms energy: -39.674436
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -9.432
flat angles P-C4'-P energy: -2.136
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: 1, replica: 3
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -210.018909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.018909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.018909 (E_RNA)
where:
Base-Base interactions energy: -138.664
where: short stacking energy: -58.605
Base-Backbone interact. energy: -0.429
local terms energy: -70.926254
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -9.170
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: 2, replica: 7
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -216.586362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.586362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.586362 (E_RNA)
where:
Base-Base interactions energy: -144.996
where: short stacking energy: -56.573
Base-Backbone interact. energy: -0.318
local terms energy: -71.272646
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -8.946
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: 2
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -193.400876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.400876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.400876 (E_RNA)
where:
Base-Base interactions energy: -121.562
where: short stacking energy: -49.558
Base-Backbone interact. energy: -0.151
local terms energy: -71.688557
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -14.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -174.633041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.633041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.633041 (E_RNA)
where:
Base-Base interactions energy: -114.340
where: short stacking energy: -53.383
Base-Backbone interact. energy: -0.421
local terms energy: -59.872077
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -12.502
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -6.024
tors. eta vs tors. theta energy: -11.555
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: 1
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -204.653504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.653504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.653504 (E_RNA)
where:
Base-Base interactions energy: -134.227
where: short stacking energy: -57.783
Base-Backbone interact. energy: -0.116
local terms energy: -70.310916
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -17.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -99.195024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.195024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.195024 (E_RNA)
where:
Base-Base interactions energy: -37.611
where: short stacking energy: -35.848
Base-Backbone interact. energy: -0.028
local terms energy: -61.555960
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -7.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -119.257837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.257837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.257837 (E_RNA)
where:
Base-Base interactions energy: -59.084
where: short stacking energy: -42.208
Base-Backbone interact. energy: -0.028
local terms energy: -60.145339
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: -6.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -94.052955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.052955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.052955 (E_RNA)
where:
Base-Base interactions energy: -41.295
where: short stacking energy: -21.704
Base-Backbone interact. energy: -0.745
local terms energy: -52.013525
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: 0.012
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: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -88.715763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.715763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.715763 (E_RNA)
where:
Base-Base interactions energy: -40.949
where: short stacking energy: -29.363
Base-Backbone interact. energy: 0.386
local terms energy: -48.152949
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: 1.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -89.820878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.820878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.820878 (E_RNA)
where:
Base-Base interactions energy: -38.596
where: short stacking energy: -35.433
Base-Backbone interact. energy: -0.104
local terms energy: -51.120476
where:
bonds (distance) C4'-P energy: -6.671
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -7.523
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: 1, replica: 7
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -225.709287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.709287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.709287 (E_RNA)
where:
Base-Base interactions energy: -155.940
where: short stacking energy: -57.429
Base-Backbone interact. energy: -0.117
local terms energy: -69.652399
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -14.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -206.968288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.968288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.968288 (E_RNA)
where:
Base-Base interactions energy: -131.333
where: short stacking energy: -54.248
Base-Backbone interact. energy: -0.164
local terms energy: -75.470989
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -18.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -191.370189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.370189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.370189 (E_RNA)
where:
Base-Base interactions energy: -119.739
where: short stacking energy: -60.840
Base-Backbone interact. energy: -1.641
local terms energy: -69.990174
where:
bonds (distance) C4'-P energy: -9.552
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -15.148
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: 2
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -185.794946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.794946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.794946 (E_RNA)
where:
Base-Base interactions energy: -116.285
where: short stacking energy: -55.419
Base-Backbone interact. energy: -0.294
local terms energy: -69.215235
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -10.685
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -15.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -187.886551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.886551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.886551 (E_RNA)
where:
Base-Base interactions energy: -126.951
where: short stacking energy: -43.117
Base-Backbone interact. energy: -0.197
local terms energy: -60.738335
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -10.063
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -15.148
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: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -87.512542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.512542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.512542 (E_RNA)
where:
Base-Base interactions energy: -31.241
where: short stacking energy: -25.489
Base-Backbone interact. energy: -0.105
local terms energy: -56.166627
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -2.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -108.532876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.532876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.532876 (E_RNA)
where:
Base-Base interactions energy: -49.110
where: short stacking energy: -39.856
Base-Backbone interact. energy: -0.090
local terms energy: -59.332827
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -9.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -79.589384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.589384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.589384 (E_RNA)
where:
Base-Base interactions energy: -24.832
where: short stacking energy: -24.832
Base-Backbone interact. energy: -0.151
local terms energy: -54.606329
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -12.245
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -5.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -86.420135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.420135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.420135 (E_RNA)
where:
Base-Base interactions energy: -29.008
where: short stacking energy: -29.008
Base-Backbone interact. energy: -0.037
local terms energy: -57.375100
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -3.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -78.811675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.811675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.811675 (E_RNA)
where:
Base-Base interactions energy: -36.090
where: short stacking energy: -27.321
Base-Backbone interact. energy: -0.175
local terms energy: -42.546234
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: 3.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -219.203810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.203810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.203810 (E_RNA)
where:
Base-Base interactions energy: -152.200
where: short stacking energy: -61.279
Base-Backbone interact. energy: 0.325
local terms energy: -67.328660
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -13.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -203.721184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.721184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.721184 (E_RNA)
where:
Base-Base interactions energy: -133.584
where: short stacking energy: -48.777
Base-Backbone interact. energy: -0.196
local terms energy: -69.941948
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -10.987
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: 3, replica: 6
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -191.798836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.798836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.798836 (E_RNA)
where:
Base-Base interactions energy: -126.933
where: short stacking energy: -39.614
Base-Backbone interact. energy: -0.195
local terms energy: -64.670829
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -11.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -203.438768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.438768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.438768 (E_RNA)
where:
Base-Base interactions energy: -131.990
where: short stacking energy: -56.487
Base-Backbone interact. energy: -0.809
local terms energy: -70.639468
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -16.320
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: 123
Temperature: 1.100000
Total energy: -189.102273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.102273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.102273 (E_RNA)
where:
Base-Base interactions energy: -121.548
where: short stacking energy: -56.041
Base-Backbone interact. energy: -0.175
local terms energy: -67.379552
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -11.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -97.281063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.281063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.281063 (E_RNA)
where:
Base-Base interactions energy: -47.528
where: short stacking energy: -30.142
Base-Backbone interact. energy: -1.046
local terms energy: -48.706701
where:
bonds (distance) C4'-P energy: -10.568
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -11.311
flat angles P-C4'-P energy: -6.029
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: 7, replica: 5
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -84.631205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.631205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.631205 (E_RNA)
where:
Base-Base interactions energy: -39.734
where: short stacking energy: -32.027
Base-Backbone interact. energy: -0.711
local terms energy: -44.186356
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -9.689
flat angles P-C4'-P energy: -3.825
tors. eta vs tors. theta energy: -3.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -87.629317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.629317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.629317 (E_RNA)
where:
Base-Base interactions energy: -37.015
where: short stacking energy: -36.273
Base-Backbone interact. energy: -0.169
local terms energy: -50.445936
where:
bonds (distance) C4'-P energy: -8.548
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -6.206
tors. eta vs tors. theta energy: -9.316
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: 10
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -83.043787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.043787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.043787 (E_RNA)
where:
Base-Base interactions energy: -29.487
where: short stacking energy: -27.807
Base-Backbone interact. energy: -0.017
local terms energy: -53.539036
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -5.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -103.898113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.898113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.898113 (E_RNA)
where:
Base-Base interactions energy: -51.243
where: short stacking energy: -27.582
Base-Backbone interact. energy: -0.198
local terms energy: -52.457293
where:
bonds (distance) C4'-P energy: -9.177
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: -9.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -212.146329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.146329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.146329 (E_RNA)
where:
Base-Base interactions energy: -142.766
where: short stacking energy: -64.803
Base-Backbone interact. energy: -0.506
local terms energy: -68.874103
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -16.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -222.653496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.653496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.653496 (E_RNA)
where:
Base-Base interactions energy: -151.501
where: short stacking energy: -61.766
Base-Backbone interact. energy: -0.068
local terms energy: -71.085068
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -13.407
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -15.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -211.732055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.732055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.732055 (E_RNA)
where:
Base-Base interactions energy: -137.355
where: short stacking energy: -72.829
Base-Backbone interact. energy: -0.302
local terms energy: -74.074209
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -15.696
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -19.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -185.368907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.368907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.368907 (E_RNA)
where:
Base-Base interactions energy: -122.202
where: short stacking energy: -52.283
Base-Backbone interact. energy: 0.424
local terms energy: -63.590768
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -12.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -183.334654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.334654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.334654 (E_RNA)
where:
Base-Base interactions energy: -119.432
where: short stacking energy: -53.237
Base-Backbone interact. energy: -0.208
local terms energy: -63.694992
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -12.418
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: 9
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -92.784437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.784437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.784437 (E_RNA)
where:
Base-Base interactions energy: -43.895
where: short stacking energy: -33.681
Base-Backbone interact. energy: -0.975
local terms energy: -47.914265
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -10.005
flat angles P-C4'-P energy: -4.100
tors. eta vs tors. theta energy: -3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -103.784827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.784827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.784827 (E_RNA)
where:
Base-Base interactions energy: -45.389
where: short stacking energy: -45.389
Base-Backbone interact. energy: -0.014
local terms energy: -58.382022
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -10.639
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -12.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -87.984532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.984532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.984532 (E_RNA)
where:
Base-Base interactions energy: -31.955
where: short stacking energy: -31.955
Base-Backbone interact. energy: -0.144
local terms energy: -55.884928
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -8.363
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: 9, replica: 8
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -75.747867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.747867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.747867 (E_RNA)
where:
Base-Base interactions energy: -28.781
where: short stacking energy: -23.755
Base-Backbone interact. energy: -0.236
local terms energy: -46.730328
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -0.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -77.916444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.916444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.916444 (E_RNA)
where:
Base-Base interactions energy: -28.638
where: short stacking energy: -28.097
Base-Backbone interact. energy: -0.294
local terms energy: -48.984942
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -12.534
flat angles C4'-P-C4' energy: -11.048
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -3.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -204.040673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.040673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.040673 (E_RNA)
where:
Base-Base interactions energy: -125.032
where: short stacking energy: -71.875
Base-Backbone interact. energy: -0.745
local terms energy: -78.263520
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -21.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -216.398721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.398721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.398721 (E_RNA)
where:
Base-Base interactions energy: -140.804
where: short stacking energy: -64.356
Base-Backbone interact. energy: -0.103
local terms energy: -75.491016
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -12.258
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: 3, replica: 7
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -212.063526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.063526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.063526 (E_RNA)
where:
Base-Base interactions energy: -138.231
where: short stacking energy: -48.693
Base-Backbone interact. energy: -0.526
local terms energy: -73.305989
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -15.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -184.034775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.034775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.034775 (E_RNA)
where:
Base-Base interactions energy: -118.938
where: short stacking energy: -62.048
Base-Backbone interact. energy: -0.153
local terms energy: -64.944581
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -9.330
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: 2
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -164.028015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.028015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.028015 (E_RNA)
where:
Base-Base interactions energy: -93.360
where: short stacking energy: -60.175
Base-Backbone interact. energy: 0.465
local terms energy: -71.133483
where:
bonds (distance) C4'-P energy: -11.724
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -17.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -145.375116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.375116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.375116 (E_RNA)
where:
Base-Base interactions energy: -86.443
where: short stacking energy: -46.575
Base-Backbone interact. energy: -0.332
local terms energy: -58.599862
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -7.475
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: 125
Temperature: 1.200000
Total energy: -90.459462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.459462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.459462 (E_RNA)
where:
Base-Base interactions energy: -38.797
where: short stacking energy: -27.680
Base-Backbone interact. energy: -1.090
local terms energy: -50.573110
where:
bonds (distance) C4'-P energy: -8.152
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -10.203
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: 8, replica: 8
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -89.233744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.233744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.233744 (E_RNA)
where:
Base-Base interactions energy: -43.295
where: short stacking energy: -40.401
Base-Backbone interact. energy: -0.105
local terms energy: -45.833914
where:
bonds (distance) C4'-P energy: -7.505
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -6.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -89.174946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.174946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.174946 (E_RNA)
where:
Base-Base interactions energy: -34.453
where: short stacking energy: -26.603
Base-Backbone interact. energy: -0.282
local terms energy: -54.439776
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -3.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -74.659183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.659183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.659183 (E_RNA)
where:
Base-Base interactions energy: -30.057
where: short stacking energy: -28.835
Base-Backbone interact. energy: -0.728
local terms energy: -43.874426
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -9.750
flat angles C4'-P-C4' energy: -10.251
flat angles P-C4'-P energy: -9.846
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: 1
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -224.122017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.122017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.122017 (E_RNA)
where:
Base-Base interactions energy: -144.073
where: short stacking energy: -68.653
Base-Backbone interact. energy: -1.563
local terms energy: -78.485704
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -18.794
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -22.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -195.039539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.039539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.039539 (E_RNA)
where:
Base-Base interactions energy: -126.333
where: short stacking energy: -66.223
Base-Backbone interact. energy: -0.112
local terms energy: -68.594291
where:
bonds (distance) C4'-P energy: -9.954
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -18.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -206.873331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.873331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.873331 (E_RNA)
where:
Base-Base interactions energy: -131.326
where: short stacking energy: -61.726
Base-Backbone interact. energy: 0.058
local terms energy: -75.604873
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -16.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -171.975835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.975835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.975835 (E_RNA)
where:
Base-Base interactions energy: -105.321
where: short stacking energy: -52.077
Base-Backbone interact. energy: -0.019
local terms energy: -66.636076
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -11.270
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: 126
Temperature: 1.100000
Total energy: -153.716921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.716921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.716921 (E_RNA)
where:
Base-Base interactions energy: -90.726
where: short stacking energy: -51.732
Base-Backbone interact. energy: -0.329
local terms energy: -62.662153
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -9.709
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: 4
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -157.011904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.011904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.011904 (E_RNA)
where:
Base-Base interactions energy: -99.059
where: short stacking energy: -40.075
Base-Backbone interact. energy: -0.636
local terms energy: -57.317258
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -11.618
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -7.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -94.569616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.569616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.569616 (E_RNA)
where:
Base-Base interactions energy: -39.836
where: short stacking energy: -39.836
Base-Backbone interact. energy: -0.018
local terms energy: -54.715440
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -6.004
tors. eta vs tors. theta energy: -7.958
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: 8, replica: 9
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -90.702950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.702950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.702950 (E_RNA)
where:
Base-Base interactions energy: -31.471
where: short stacking energy: -30.349
Base-Backbone interact. energy: -0.483
local terms energy: -58.748983
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -4.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -81.704966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.704966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.704966 (E_RNA)
where:
Base-Base interactions energy: -26.547
where: short stacking energy: -26.647
Base-Backbone interact. energy: 1.039
local terms energy: -56.196980
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -10.802
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -3.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -86.329188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.329188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.329188 (E_RNA)
where:
Base-Base interactions energy: -31.320
where: short stacking energy: -25.492
Base-Backbone interact. energy: -0.155
local terms energy: -54.854199
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -4.164
tors. eta vs tors. theta energy: -4.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -223.772894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.772894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.772894 (E_RNA)
where:
Base-Base interactions energy: -145.602
where: short stacking energy: -66.385
Base-Backbone interact. energy: -0.002
local terms energy: -78.167957
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -17.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -217.867817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.867817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.867817 (E_RNA)
where:
Base-Base interactions energy: -144.520
where: short stacking energy: -67.035
Base-Backbone interact. energy: -0.091
local terms energy: -73.256557
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -6.312
tors. eta vs tors. theta energy: -19.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -189.819537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.819537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.819537 (E_RNA)
where:
Base-Base interactions energy: -116.213
where: short stacking energy: -70.413
Base-Backbone interact. energy: -0.692
local terms energy: -72.914290
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -18.338
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -18.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -183.298696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.298696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.298696 (E_RNA)
where:
Base-Base interactions energy: -116.490
where: short stacking energy: -58.982
Base-Backbone interact. energy: -0.026
local terms energy: -66.782631
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -17.212
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: 5, replica: 2
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -151.629760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.629760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.629760 (E_RNA)
where:
Base-Base interactions energy: -90.691
where: short stacking energy: -50.088
Base-Backbone interact. energy: -0.021
local terms energy: -60.918400
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -9.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -164.759306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.759306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.759306 (E_RNA)
where:
Base-Base interactions energy: -103.334
where: short stacking energy: -50.122
Base-Backbone interact. energy: -0.089
local terms energy: -61.336881
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -14.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -86.501133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.501133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.501133 (E_RNA)
where:
Base-Base interactions energy: -37.429
where: short stacking energy: -33.604
Base-Backbone interact. energy: -0.103
local terms energy: -48.969799
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -8.209
flat angles P-C4'-P energy: -7.105
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: 10
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -91.845451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.845451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.845451 (E_RNA)
where:
Base-Base interactions energy: -46.460
where: short stacking energy: -30.542
Base-Backbone interact. energy: -0.278
local terms energy: -45.108348
where:
bonds (distance) C4'-P energy: -10.067
bonds (distance) P-C4' energy: -12.618
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -11.762
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: 9, replica: 9
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -75.581253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.581253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.581253 (E_RNA)
where:
Base-Base interactions energy: -27.726
where: short stacking energy: -26.662
Base-Backbone interact. energy: -0.195
local terms energy: -47.660675
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -7.089
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -4.638
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: 5
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -77.779126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.779126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.779126 (E_RNA)
where:
Base-Base interactions energy: -27.778
where: short stacking energy: -27.778
Base-Backbone interact. energy: -0.064
local terms energy: -49.937019
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -8.666
flat angles P-C4'-P energy: -6.051
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: 1, replica: 7
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -220.889313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.889313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.889313 (E_RNA)
where:
Base-Base interactions energy: -145.789
where: short stacking energy: -62.464
Base-Backbone interact. energy: -0.003
local terms energy: -75.096893
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -10.681
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: 2, replica: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -210.213384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.213384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.213384 (E_RNA)
where:
Base-Base interactions energy: -139.933
where: short stacking energy: -63.067
Base-Backbone interact. energy: -0.904
local terms energy: -69.376403
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -15.686
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -15.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -174.382589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.382589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.382589 (E_RNA)
where:
Base-Base interactions energy: -103.238
where: short stacking energy: -50.794
Base-Backbone interact. energy: -0.578
local terms energy: -70.567453
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -13.357
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: 3
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -177.314430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.314430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.314430 (E_RNA)
where:
Base-Base interactions energy: -104.832
where: short stacking energy: -58.470
Base-Backbone interact. energy: -0.047
local terms energy: -72.435227
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -15.478
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: 128
Temperature: 1.100000
Total energy: -172.524262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.524262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.524262 (E_RNA)
where:
Base-Base interactions energy: -103.664
where: short stacking energy: -57.440
Base-Backbone interact. energy: -0.057
local terms energy: -68.803227
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -15.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -146.415236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.415236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.415236 (E_RNA)
where:
Base-Base interactions energy: -77.517
where: short stacking energy: -49.693
Base-Backbone interact. energy: -0.054
local terms energy: -68.844389
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -13.805
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: 128
Temperature: 1.200000
Total energy: -113.007361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.007361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.007361 (E_RNA)
where:
Base-Base interactions energy: -60.323
where: short stacking energy: -38.906
Base-Backbone interact. energy: -0.262
local terms energy: -52.422707
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -8.303
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: 8, replica: 10
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -100.049136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.049136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.049136 (E_RNA)
where:
Base-Base interactions energy: -46.831
where: short stacking energy: -42.210
Base-Backbone interact. energy: -0.175
local terms energy: -53.043060
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -6.793
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -8.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -85.101966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.101966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.101966 (E_RNA)
where:
Base-Base interactions energy: -37.143
where: short stacking energy: -36.942
Base-Backbone interact. energy: 0.656
local terms energy: -48.615318
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -9.867
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -3.942
tors. eta vs tors. theta energy: -9.250
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: 10, replica: 9
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -76.284941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.284941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.284941 (E_RNA)
where:
Base-Base interactions energy: -30.872
where: short stacking energy: -29.707
Base-Backbone interact. energy: -0.246
local terms energy: -45.166729
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -4.696
flat angles P-C4'-P energy: -8.098
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: 1, replica: 7
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -220.489504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.489504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.489504 (E_RNA)
where:
Base-Base interactions energy: -144.563
where: short stacking energy: -72.713
Base-Backbone interact. energy: -0.192
local terms energy: -75.734664
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -18.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -192.991421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.991421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.991421 (E_RNA)
where:
Base-Base interactions energy: -116.098
where: short stacking energy: -65.599
Base-Backbone interact. energy: -0.009
local terms energy: -76.884940
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -20.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -207.231803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.231803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.231803 (E_RNA)
where:
Base-Base interactions energy: -141.073
where: short stacking energy: -54.664
Base-Backbone interact. energy: -0.342
local terms energy: -65.816802
where:
bonds (distance) C4'-P energy: -10.663
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -7.908
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: 4, replica: 4
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -176.527782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.527782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.527782 (E_RNA)
where:
Base-Base interactions energy: -109.027
where: short stacking energy: -58.896
Base-Backbone interact. energy: -0.941
local terms energy: -66.560184
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -9.492
flat angles C4'-P-C4' energy: -18.387
flat angles P-C4'-P energy: -12.496
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: 3
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -170.418619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.418619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.418619 (E_RNA)
where:
Base-Base interactions energy: -109.434
where: short stacking energy: -59.621
Base-Backbone interact. energy: -0.003
local terms energy: -60.981574
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -10.900
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -12.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -157.090443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.090443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.090443 (E_RNA)
where:
Base-Base interactions energy: -87.690
where: short stacking energy: -55.151
Base-Backbone interact. energy: -0.003
local terms energy: -69.396831
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -14.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -114.082302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.082302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.082302 (E_RNA)
where:
Base-Base interactions energy: -53.469
where: short stacking energy: -24.789
Base-Backbone interact. energy: 0.152
local terms energy: -60.765623
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -2.715
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: 5
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -92.269036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.269036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.269036 (E_RNA)
where:
Base-Base interactions energy: -43.729
where: short stacking energy: -38.688
Base-Backbone interact. energy: -0.172
local terms energy: -48.367808
where:
bonds (distance) C4'-P energy: -3.951
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -7.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -88.736784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.736784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.736784 (E_RNA)
where:
Base-Base interactions energy: -42.193
where: short stacking energy: -36.112
Base-Backbone interact. energy: -0.082
local terms energy: -46.462195
where:
bonds (distance) C4'-P energy: -9.251
bonds (distance) P-C4' energy: -10.746
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -7.500
tors. eta vs tors. theta energy: -3.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -77.267205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.267205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.267205 (E_RNA)
where:
Base-Base interactions energy: -31.736
where: short stacking energy: -23.239
Base-Backbone interact. energy: -1.080
local terms energy: -44.451575
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -10.993
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: 0.043
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: 7
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -225.612011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.612011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.612011 (E_RNA)
where:
Base-Base interactions energy: -148.872
where: short stacking energy: -72.774
Base-Backbone interact. energy: -0.798
local terms energy: -75.942234
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: -22.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -194.888959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.888959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.888959 (E_RNA)
where:
Base-Base interactions energy: -119.258
where: short stacking energy: -58.739
Base-Backbone interact. energy: -0.383
local terms energy: -75.247849
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -16.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -202.832629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.832629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.832629 (E_RNA)
where:
Base-Base interactions energy: -136.855
where: short stacking energy: -64.271
Base-Backbone interact. energy: -0.206
local terms energy: -65.771909
where:
bonds (distance) C4'-P energy: -9.142
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -16.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -181.205108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.205108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.205108 (E_RNA)
where:
Base-Base interactions energy: -107.911
where: short stacking energy: -69.745
Base-Backbone interact. energy: -1.508
local terms energy: -71.786312
where:
bonds (distance) C4'-P energy: -10.130
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -17.532
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -17.265
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: 130
Temperature: 1.100000
Total energy: -148.221124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.221124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.221124 (E_RNA)
where:
Base-Base interactions energy: -80.906
where: short stacking energy: -45.636
Base-Backbone interact. energy: -0.231
local terms energy: -67.084899
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -12.151
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: 3
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -154.528809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.528809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.528809 (E_RNA)
where:
Base-Base interactions energy: -83.071
where: short stacking energy: -47.211
Base-Backbone interact. energy: -0.037
local terms energy: -71.421336
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -15.668
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -14.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -95.944763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.944763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.944763 (E_RNA)
where:
Base-Base interactions energy: -36.774
where: short stacking energy: -30.051
Base-Backbone interact. energy: -0.014
local terms energy: -59.157153
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -10.240
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -10.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -88.727092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.727092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.727092 (E_RNA)
where:
Base-Base interactions energy: -38.167
where: short stacking energy: -34.531
Base-Backbone interact. energy: -0.353
local terms energy: -50.207505
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -6.314
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -4.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -100.198799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.198799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.198799 (E_RNA)
where:
Base-Base interactions energy: -55.055
where: short stacking energy: -31.271
Base-Backbone interact. energy: -0.099
local terms energy: -45.044249
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -11.270
flat angles C4'-P-C4' energy: -7.884
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -4.274
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: 130
Temperature: 1.350000
Total energy: -76.977343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.977343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.977343 (E_RNA)
where:
Base-Base interactions energy: -33.373
where: short stacking energy: -24.186
Base-Backbone interact. energy: -0.387
local terms energy: -43.217669
where:
bonds (distance) C4'-P energy: -9.963
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -2.760
tors. eta vs tors. theta energy: -3.180
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: 1, replica: 7
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -227.649621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.649621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.649621 (E_RNA)
where:
Base-Base interactions energy: -144.638
where: short stacking energy: -72.670
Base-Backbone interact. energy: -0.675
local terms energy: -82.336664
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -21.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -187.041731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.041731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.041731 (E_RNA)
where:
Base-Base interactions energy: -111.964
where: short stacking energy: -57.147
Base-Backbone interact. energy: -0.883
local terms energy: -74.195692
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -15.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -209.212804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.212804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.212804 (E_RNA)
where:
Base-Base interactions energy: -136.995
where: short stacking energy: -59.609
Base-Backbone interact. energy: -0.080
local terms energy: -72.137277
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -19.992
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: 2
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -161.166320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.166320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.166320 (E_RNA)
where:
Base-Base interactions energy: -104.799
where: short stacking energy: -43.066
Base-Backbone interact. energy: -0.790
local terms energy: -55.576748
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -10.313
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -8.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -158.893413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.893413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.893413 (E_RNA)
where:
Base-Base interactions energy: -101.753
where: short stacking energy: -49.601
Base-Backbone interact. energy: -0.326
local terms energy: -56.814246
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -9.405
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -8.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -151.927160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.927160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.927160 (E_RNA)
where:
Base-Base interactions energy: -86.297
where: short stacking energy: -49.444
Base-Backbone interact. energy: -0.668
local terms energy: -64.962918
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -11.234
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: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -111.960729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.960729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.960729 (E_RNA)
where:
Base-Base interactions energy: -55.910
where: short stacking energy: -52.078
Base-Backbone interact. energy: -0.012
local terms energy: -56.038286
where:
bonds (distance) C4'-P energy: -6.679
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -16.664
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: 9
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -93.232099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.232099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.232099 (E_RNA)
where:
Base-Base interactions energy: -40.233
where: short stacking energy: -27.955
Base-Backbone interact. energy: -0.572
local terms energy: -52.427250
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -10.555
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -6.740
tors. eta vs tors. theta energy: -6.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -92.128100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.128100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.128100 (E_RNA)
where:
Base-Base interactions energy: -36.908
where: short stacking energy: -36.908
Base-Backbone interact. energy: -0.160
local terms energy: -55.059418
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -10.469
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: 10
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -87.641623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.641623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.641623 (E_RNA)
where:
Base-Base interactions energy: -34.596
where: short stacking energy: -34.596
Base-Backbone interact. energy: -0.193
local terms energy: -52.853337
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -10.367
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -6.052
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: 1, replica: 7
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -224.841275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.841275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.841275 (E_RNA)
where:
Base-Base interactions energy: -151.043
where: short stacking energy: -71.763
Base-Backbone interact. energy: -0.036
local terms energy: -73.762774
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -19.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -195.280475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.280475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.280475 (E_RNA)
where:
Base-Base interactions energy: -122.309
where: short stacking energy: -51.403
Base-Backbone interact. energy: -0.332
local terms energy: -72.639159
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -10.037
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: 3, replica: 1
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -214.283020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.283020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.283020 (E_RNA)
where:
Base-Base interactions energy: -145.367
where: short stacking energy: -55.638
Base-Backbone interact. energy: -0.135
local terms energy: -68.780965
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -9.756
flat angles P-C4'-P energy: -7.679
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: 4, replica: 2
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -172.962673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.962673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.962673 (E_RNA)
where:
Base-Base interactions energy: -115.784
where: short stacking energy: -43.794
Base-Backbone interact. energy: -0.389
local terms energy: -56.789367
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -9.901
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -10.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -171.403239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.403239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.403239 (E_RNA)
where:
Base-Base interactions energy: -109.356
where: short stacking energy: -55.641
Base-Backbone interact. energy: 0.066
local terms energy: -62.113320
where:
bonds (distance) C4'-P energy: -18.010
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -13.009
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: 3
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -138.686068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.686068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.686068 (E_RNA)
where:
Base-Base interactions energy: -80.122
where: short stacking energy: -41.100
Base-Backbone interact. energy: -0.112
local terms energy: -58.452479
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -10.968
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -6.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -85.259708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.259708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.259708 (E_RNA)
where:
Base-Base interactions energy: -33.981
where: short stacking energy: -24.275
Base-Backbone interact. energy: -0.044
local terms energy: -51.234905
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -1.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -98.188765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.188765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.188765 (E_RNA)
where:
Base-Base interactions energy: -44.299
where: short stacking energy: -42.463
Base-Backbone interact. energy: -0.147
local terms energy: -53.742754
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -6.905
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -10.108
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: 8
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -97.085197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.085197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.085197 (E_RNA)
where:
Base-Base interactions energy: -51.798
where: short stacking energy: -31.047
Base-Backbone interact. energy: 0.438
local terms energy: -45.725203
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -7.410
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -4.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -76.613065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.613065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.613065 (E_RNA)
where:
Base-Base interactions energy: -28.627
where: short stacking energy: -22.242
Base-Backbone interact. energy: -0.122
local terms energy: -47.863916
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: 4.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -223.495613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.495613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.495613 (E_RNA)
where:
Base-Base interactions energy: -141.457
where: short stacking energy: -61.083
Base-Backbone interact. energy: -0.309
local terms energy: -81.729496
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -22.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -188.875393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.875393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.875393 (E_RNA)
where:
Base-Base interactions energy: -115.611
where: short stacking energy: -60.982
Base-Backbone interact. energy: -0.000
local terms energy: -73.263917
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -11.169
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: 3, replica: 1
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -216.884719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.884719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.884719 (E_RNA)
where:
Base-Base interactions energy: -143.630
where: short stacking energy: -61.531
Base-Backbone interact. energy: -0.001
local terms energy: -73.253062
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -10.762
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: 4
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -170.278616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.278616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.278616 (E_RNA)
where:
Base-Base interactions energy: -106.896
where: short stacking energy: -53.584
Base-Backbone interact. energy: -0.991
local terms energy: -62.391631
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -9.784
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: 2
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -175.771064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.771064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.771064 (E_RNA)
where:
Base-Base interactions energy: -118.776
where: short stacking energy: -52.069
Base-Backbone interact. energy: 0.364
local terms energy: -57.358727
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -14.090
flat angles C4'-P-C4' energy: -8.611
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -11.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -156.852797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.852797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.852797 (E_RNA)
where:
Base-Base interactions energy: -97.357
where: short stacking energy: -46.122
Base-Backbone interact. energy: -0.348
local terms energy: -59.147955
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -5.793
tors. eta vs tors. theta energy: -15.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -94.302337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.302337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.302337 (E_RNA)
where:
Base-Base interactions energy: -38.203
where: short stacking energy: -36.735
Base-Backbone interact. energy: -0.249
local terms energy: -55.850068
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -5.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -80.514880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.514880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.514880 (E_RNA)
where:
Base-Base interactions energy: -27.924
where: short stacking energy: -27.924
Base-Backbone interact. energy: -0.059
local terms energy: -52.532336
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -1.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -82.351408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.351408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.351408 (E_RNA)
where:
Base-Base interactions energy: -33.324
where: short stacking energy: -27.290
Base-Backbone interact. energy: -0.514
local terms energy: -48.513786
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -8.770
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -5.845
tors. eta vs tors. theta energy: -5.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -84.786125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.786125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.786125 (E_RNA)
where:
Base-Base interactions energy: -40.029
where: short stacking energy: -31.055
Base-Backbone interact. energy: -0.068
local terms energy: -44.689850
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -8.808
flat angles C4'-P-C4' energy: -11.055
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -2.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -224.998329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.998329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.998329 (E_RNA)
where:
Base-Base interactions energy: -147.142
where: short stacking energy: -71.222
Base-Backbone interact. energy: -0.006
local terms energy: -77.850036
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -10.212
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: 2, replica: 6
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -188.080802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.080802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.080802 (E_RNA)
where:
Base-Base interactions energy: -116.045
where: short stacking energy: -62.347
Base-Backbone interact. energy: -0.513
local terms energy: -71.522679
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -17.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -215.484744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.484744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.484744 (E_RNA)
where:
Base-Base interactions energy: -137.453
where: short stacking energy: -58.930
Base-Backbone interact. energy: -0.006
local terms energy: -78.025472
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -13.360
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: 4, replica: 4
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -173.769975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.769975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.769975 (E_RNA)
where:
Base-Base interactions energy: -107.277
where: short stacking energy: -55.453
Base-Backbone interact. energy: -0.683
local terms energy: -65.809960
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -14.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -176.918258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.918258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.918258 (E_RNA)
where:
Base-Base interactions energy: -109.310
where: short stacking energy: -54.710
Base-Backbone interact. energy: -0.097
local terms energy: -67.511340
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -10.932
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: 6, replica: 3
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -166.360923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.360923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.360923 (E_RNA)
where:
Base-Base interactions energy: -101.257
where: short stacking energy: -53.255
Base-Backbone interact. energy: -0.205
local terms energy: -64.899586
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -12.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -91.337572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.337572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.337572 (E_RNA)
where:
Base-Base interactions energy: -36.768
where: short stacking energy: -21.384
Base-Backbone interact. energy: -0.427
local terms energy: -54.142348
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: -4.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -88.080710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.080710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.080710 (E_RNA)
where:
Base-Base interactions energy: -44.741
where: short stacking energy: -24.650
Base-Backbone interact. energy: -0.053
local terms energy: -43.286626
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -6.238
flat angles P-C4'-P energy: -6.171
tors. eta vs tors. theta energy: -0.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -78.257506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.257506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.257506 (E_RNA)
where:
Base-Base interactions energy: -28.470
where: short stacking energy: -25.797
Base-Backbone interact. energy: 0.003
local terms energy: -49.790613
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: -4.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -70.301179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.301179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.301179 (E_RNA)
where:
Base-Base interactions energy: -26.296
where: short stacking energy: -26.296
Base-Backbone interact. energy: 0.509
local terms energy: -44.514383
where:
bonds (distance) C4'-P energy: -10.160
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -8.716
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -226.791890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.791890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.791890 (E_RNA)
where:
Base-Base interactions energy: -150.160
where: short stacking energy: -72.887
Base-Backbone interact. energy: -0.004
local terms energy: -76.627819
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -20.825
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: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -211.819179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.819179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.819179 (E_RNA)
where:
Base-Base interactions energy: -135.528
where: short stacking energy: -60.343
Base-Backbone interact. energy: -0.646
local terms energy: -75.644849
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -12.457
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: 3, replica: 6
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -181.786349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.786349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.786349 (E_RNA)
where:
Base-Base interactions energy: -112.686
where: short stacking energy: -54.141
Base-Backbone interact. energy: -0.207
local terms energy: -68.893389
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -15.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -168.792218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.792218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.792218 (E_RNA)
where:
Base-Base interactions energy: -108.955
where: short stacking energy: -55.090
Base-Backbone interact. energy: -0.037
local terms energy: -59.800253
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -9.250
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: 135
Temperature: 1.100000
Total energy: -158.688905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.688905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.688905 (E_RNA)
where:
Base-Base interactions energy: -94.118
where: short stacking energy: -48.746
Base-Backbone interact. energy: -0.023
local terms energy: -64.547650
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -8.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -165.901904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.901904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.901904 (E_RNA)
where:
Base-Base interactions energy: -105.075
where: short stacking energy: -54.366
Base-Backbone interact. energy: -0.138
local terms energy: -60.689171
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -11.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -90.414775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.414775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.414775 (E_RNA)
where:
Base-Base interactions energy: -31.064
where: short stacking energy: -29.736
Base-Backbone interact. energy: -0.096
local terms energy: -59.255388
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -7.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -94.114274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.114274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.114274 (E_RNA)
where:
Base-Base interactions energy: -50.824
where: short stacking energy: -33.991
Base-Backbone interact. energy: -1.335
local terms energy: -41.955324
where:
bonds (distance) C4'-P energy: -7.026
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -8.481
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -6.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -82.202394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.202394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.202394 (E_RNA)
where:
Base-Base interactions energy: -38.210
where: short stacking energy: -29.285
Base-Backbone interact. energy: -0.893
local terms energy: -43.099912
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -7.182
flat angles P-C4'-P energy: -5.255
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: 5
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -88.076025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.076025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.076025 (E_RNA)
where:
Base-Base interactions energy: -38.952
where: short stacking energy: -35.266
Base-Backbone interact. energy: -0.112
local terms energy: -49.012119
where:
bonds (distance) C4'-P energy: -8.502
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -9.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -229.735272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.735272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.735272 (E_RNA)
where:
Base-Base interactions energy: -153.601
where: short stacking energy: -73.175
Base-Backbone interact. energy: -0.026
local terms energy: -76.108395
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -22.060
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: 7
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -219.037138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.037138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.037138 (E_RNA)
where:
Base-Base interactions energy: -140.686
where: short stacking energy: -62.888
Base-Backbone interact. energy: -0.002
local terms energy: -78.348886
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -14.759
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: 3, replica: 2
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -159.133512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.133512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.133512 (E_RNA)
where:
Base-Base interactions energy: -96.809
where: short stacking energy: -46.156
Base-Backbone interact. energy: -0.453
local terms energy: -61.871092
where:
bonds (distance) C4'-P energy: -15.671
bonds (distance) P-C4' energy: -12.382
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -10.423
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: 6
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -166.830449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.830449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.830449 (E_RNA)
where:
Base-Base interactions energy: -97.787
where: short stacking energy: -61.159
Base-Backbone interact. energy: -0.111
local terms energy: -68.932568
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -14.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -161.447704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.447704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.447704 (E_RNA)
where:
Base-Base interactions energy: -102.266
where: short stacking energy: -59.915
Base-Backbone interact. energy: -0.014
local terms energy: -59.168330
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -10.562
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: 136
Temperature: 1.150000
Total energy: -171.008821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.008821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.008821 (E_RNA)
where:
Base-Base interactions energy: -103.169
where: short stacking energy: -57.796
Base-Backbone interact. energy: -0.418
local terms energy: -67.422262
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -13.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -104.173587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.173587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.173587 (E_RNA)
where:
Base-Base interactions energy: -48.234
where: short stacking energy: -32.024
Base-Backbone interact. energy: -0.268
local terms energy: -55.671867
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -8.941
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: 8, replica: 8
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -91.544657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.544657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.544657 (E_RNA)
where:
Base-Base interactions energy: -37.415
where: short stacking energy: -21.838
Base-Backbone interact. energy: -0.502
local terms energy: -53.627744
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: -2.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -79.463788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.463788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.463788 (E_RNA)
where:
Base-Base interactions energy: -31.273
where: short stacking energy: -25.551
Base-Backbone interact. energy: -0.057
local terms energy: -48.133585
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -4.854
tors. eta vs tors. theta energy: -1.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -75.399614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.399614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.399614 (E_RNA)
where:
Base-Base interactions energy: -35.929
where: short stacking energy: -20.120
Base-Backbone interact. energy: -0.279
local terms energy: -39.191742
where:
bonds (distance) C4'-P energy: -10.349
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -7.421
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: 0.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -224.861794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.861794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.861794 (E_RNA)
where:
Base-Base interactions energy: -146.660
where: short stacking energy: -71.477
Base-Backbone interact. energy: -0.101
local terms energy: -78.100941
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -19.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -180.326614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.326614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.326614 (E_RNA)
where:
Base-Base interactions energy: -108.721
where: short stacking energy: -59.682
Base-Backbone interact. energy: -0.012
local terms energy: -71.593610
where:
bonds (distance) C4'-P energy: -9.407
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -14.240
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: 7
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -214.015283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.015283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.015283 (E_RNA)
where:
Base-Base interactions energy: -136.819
where: short stacking energy: -75.001
Base-Backbone interact. energy: -0.008
local terms energy: -77.187674
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -19.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -166.255084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.255084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.255084 (E_RNA)
where:
Base-Base interactions energy: -94.064
where: short stacking energy: -48.929
Base-Backbone interact. energy: -0.015
local terms energy: -72.175910
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -11.740
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: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -168.274667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.274667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.274667 (E_RNA)
where:
Base-Base interactions energy: -100.168
where: short stacking energy: -49.406
Base-Backbone interact. energy: -0.028
local terms energy: -68.078630
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -11.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -177.176804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.176804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.176804 (E_RNA)
where:
Base-Base interactions energy: -107.121
where: short stacking energy: -56.303
Base-Backbone interact. energy: -0.232
local terms energy: -69.823784
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: -13.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -91.953601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.953601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.953601 (E_RNA)
where:
Base-Base interactions energy: -31.758
where: short stacking energy: -31.958
Base-Backbone interact. energy: -0.003
local terms energy: -60.192154
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -4.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -88.609435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.609435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.609435 (E_RNA)
where:
Base-Base interactions energy: -28.190
where: short stacking energy: -24.334
Base-Backbone interact. energy: -0.900
local terms energy: -59.518886
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -10.388
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: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -78.655808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.655808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.655808 (E_RNA)
where:
Base-Base interactions energy: -27.223
where: short stacking energy: -27.223
Base-Backbone interact. energy: -0.088
local terms energy: -51.345514
where:
bonds (distance) C4'-P energy: -10.574
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -3.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -83.568817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.568817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.568817 (E_RNA)
where:
Base-Base interactions energy: -37.611
where: short stacking energy: -30.296
Base-Backbone interact. energy: -0.033
local terms energy: -45.925323
where:
bonds (distance) C4'-P energy: -3.881
bonds (distance) P-C4' energy: -10.136
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -10.049
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: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -226.086407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.086407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.086407 (E_RNA)
where:
Base-Base interactions energy: -146.777
where: short stacking energy: -69.696
Base-Backbone interact. energy: -0.002
local terms energy: -79.307255
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -20.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -181.000304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.000304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.000304 (E_RNA)
where:
Base-Base interactions energy: -101.415
where: short stacking energy: -57.412
Base-Backbone interact. energy: -0.135
local terms energy: -79.450069
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -19.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -213.630229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.630229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.630229 (E_RNA)
where:
Base-Base interactions energy: -143.907
where: short stacking energy: -57.891
Base-Backbone interact. energy: -0.058
local terms energy: -69.665566
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -17.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -172.941733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.941733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.941733 (E_RNA)
where:
Base-Base interactions energy: -107.429
where: short stacking energy: -54.902
Base-Backbone interact. energy: -0.238
local terms energy: -65.274659
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -14.362
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: 6
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -163.188876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.188876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.188876 (E_RNA)
where:
Base-Base interactions energy: -95.475
where: short stacking energy: -49.695
Base-Backbone interact. energy: -0.111
local terms energy: -67.602738
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -15.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -162.251645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.251645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.251645 (E_RNA)
where:
Base-Base interactions energy: -102.119
where: short stacking energy: -54.168
Base-Backbone interact. energy: -0.073
local terms energy: -60.060234
where:
bonds (distance) C4'-P energy: -10.096
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -10.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -91.318385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.318385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.318385 (E_RNA)
where:
Base-Base interactions energy: -38.425
where: short stacking energy: -37.548
Base-Backbone interact. energy: 0.707
local terms energy: -53.600868
where:
bonds (distance) C4'-P energy: -9.260
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -9.005
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -10.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -88.146277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.146277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.146277 (E_RNA)
where:
Base-Base interactions energy: -35.300
where: short stacking energy: -34.147
Base-Backbone interact. energy: -0.170
local terms energy: -52.676723
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -10.028
flat angles P-C4'-P energy: -7.706
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: 10
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -72.988144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.988144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.988144 (E_RNA)
where:
Base-Base interactions energy: -28.527
where: short stacking energy: -28.527
Base-Backbone interact. energy: 1.172
local terms energy: -45.633567
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -10.442
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -1.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -74.089038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.089038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.089038 (E_RNA)
where:
Base-Base interactions energy: -26.701
where: short stacking energy: -26.701
Base-Backbone interact. energy: 0.082
local terms energy: -47.469713
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -12.302
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: 1.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -224.162455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.162455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.162455 (E_RNA)
where:
Base-Base interactions energy: -150.640
where: short stacking energy: -75.377
Base-Backbone interact. energy: -0.008
local terms energy: -73.514432
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -6.326
tors. eta vs tors. theta energy: -21.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -217.528513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.528513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.528513 (E_RNA)
where:
Base-Base interactions energy: -139.006
where: short stacking energy: -63.787
Base-Backbone interact. energy: -0.019
local terms energy: -78.503366
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -8.983
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: 3, replica: 2
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -173.114220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.114220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.114220 (E_RNA)
where:
Base-Base interactions energy: -102.121
where: short stacking energy: -62.495
Base-Backbone interact. energy: -2.599
local terms energy: -68.393979
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -15.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -193.024411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.024411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.024411 (E_RNA)
where:
Base-Base interactions energy: -116.254
where: short stacking energy: -62.003
Base-Backbone interact. energy: -0.164
local terms energy: -76.605779
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -20.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -163.324506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.324506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.324506 (E_RNA)
where:
Base-Base interactions energy: -99.784
where: short stacking energy: -49.085
Base-Backbone interact. energy: -0.169
local terms energy: -63.371833
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -10.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -157.094070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.094070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.094070 (E_RNA)
where:
Base-Base interactions energy: -96.477
where: short stacking energy: -47.947
Base-Backbone interact. energy: -0.206
local terms energy: -60.411236
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -10.511
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: 5
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -98.186733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.186733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.186733 (E_RNA)
where:
Base-Base interactions energy: -41.410
where: short stacking energy: -39.225
Base-Backbone interact. energy: -1.046
local terms energy: -55.730788
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -7.457
tors. eta vs tors. theta energy: -7.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -93.066794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.066794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.066794 (E_RNA)
where:
Base-Base interactions energy: -51.979
where: short stacking energy: -24.821
Base-Backbone interact. energy: -0.330
local terms energy: -40.758206
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -9.592
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: 1.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -99.036657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.036657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.036657 (E_RNA)
where:
Base-Base interactions energy: -43.886
where: short stacking energy: -43.886
Base-Backbone interact. energy: -0.045
local terms energy: -55.105547
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -7.989
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -14.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -69.058433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.058433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.058433 (E_RNA)
where:
Base-Base interactions energy: -27.637
where: short stacking energy: -23.628
Base-Backbone interact. energy: -0.301
local terms energy: -41.120927
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -1.638
tors. eta vs tors. theta energy: -0.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -223.816534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.816534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.816534 (E_RNA)
where:
Base-Base interactions energy: -146.135
where: short stacking energy: -68.172
Base-Backbone interact. energy: -0.058
local terms energy: -77.623712
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -21.488
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: 1
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -224.444242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.444242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.444242 (E_RNA)
where:
Base-Base interactions energy: -142.341
where: short stacking energy: -65.243
Base-Backbone interact. energy: -0.857
local terms energy: -81.246044
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -9.508
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: 3, replica: 6
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -198.707352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.707352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.707352 (E_RNA)
where:
Base-Base interactions energy: -120.783
where: short stacking energy: -65.848
Base-Backbone interact. energy: -0.026
local terms energy: -77.898441
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -12.843
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: 4, replica: 2
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -168.614018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.614018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.614018 (E_RNA)
where:
Base-Base interactions energy: -97.635
where: short stacking energy: -50.772
Base-Backbone interact. energy: -0.125
local terms energy: -70.854695
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -14.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -158.359656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.359656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.359656 (E_RNA)
where:
Base-Base interactions energy: -101.518
where: short stacking energy: -51.636
Base-Backbone interact. energy: 1.068
local terms energy: -57.909578
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -9.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -157.412434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.412434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.412434 (E_RNA)
where:
Base-Base interactions energy: -91.240
where: short stacking energy: -42.267
Base-Backbone interact. energy: -0.614
local terms energy: -65.558490
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -10.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -92.991502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.991502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.991502 (E_RNA)
where:
Base-Base interactions energy: -40.417
where: short stacking energy: -23.900
Base-Backbone interact. energy: -0.309
local terms energy: -52.266124
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: 1.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -102.247588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.247588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.247588 (E_RNA)
where:
Base-Base interactions energy: -41.726
where: short stacking energy: -31.249
Base-Backbone interact. energy: -0.102
local terms energy: -60.419818
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -6.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -79.237182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.237182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.237182 (E_RNA)
where:
Base-Base interactions energy: -30.886
where: short stacking energy: -29.480
Base-Backbone interact. energy: -0.234
local terms energy: -48.117117
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -7.904
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: 10, replica: 10
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -86.814418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.814418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.814418 (E_RNA)
where:
Base-Base interactions energy: -38.169
where: short stacking energy: -38.130
Base-Backbone interact. energy: -0.084
local terms energy: -48.561363
where:
bonds (distance) C4'-P energy: -5.686
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -7.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -214.601000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.601000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.601000 (E_RNA)
where:
Base-Base interactions energy: -140.376
where: short stacking energy: -64.588
Base-Backbone interact. energy: 0.848
local terms energy: -75.072769
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -18.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -221.080671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.080671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.080671 (E_RNA)
where:
Base-Base interactions energy: -143.295
where: short stacking energy: -58.212
Base-Backbone interact. energy: -1.165
local terms energy: -76.620768
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -20.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -191.175285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.175285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.175285 (E_RNA)
where:
Base-Base interactions energy: -122.222
where: short stacking energy: -59.256
Base-Backbone interact. energy: -0.432
local terms energy: -68.521278
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -17.247
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: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -160.800559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.800559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.800559 (E_RNA)
where:
Base-Base interactions energy: -98.935
where: short stacking energy: -52.373
Base-Backbone interact. energy: -0.263
local terms energy: -61.602843
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -15.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -138.718661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.718661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.718661 (E_RNA)
where:
Base-Base interactions energy: -90.478
where: short stacking energy: -40.578
Base-Backbone interact. energy: -1.755
local terms energy: -46.486373
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -8.628
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -6.495
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: 6, replica: 9
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -102.607126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.607126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.607126 (E_RNA)
where:
Base-Base interactions energy: -43.568
where: short stacking energy: -43.568
Base-Backbone interact. energy: -0.002
local terms energy: -59.036316
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -9.261
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: 3
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -132.033386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.033386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.033386 (E_RNA)
where:
Base-Base interactions energy: -71.952
where: short stacking energy: -40.621
Base-Backbone interact. energy: -0.629
local terms energy: -59.452985
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -3.997
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: 141
Temperature: 1.250000
Total energy: -90.010776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.010776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.010776 (E_RNA)
where:
Base-Base interactions energy: -36.459
where: short stacking energy: -22.239
Base-Backbone interact. energy: -0.112
local terms energy: -53.440628
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: 0.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -80.186196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.186196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.186196 (E_RNA)
where:
Base-Base interactions energy: -25.991
where: short stacking energy: -25.991
Base-Backbone interact. energy: -1.138
local terms energy: -53.056606
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -1.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -84.372345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.372345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.372345 (E_RNA)
where:
Base-Base interactions energy: -37.727
where: short stacking energy: -37.727
Base-Backbone interact. energy: -0.339
local terms energy: -46.306514
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -7.357
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -5.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -222.554391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.554391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.554391 (E_RNA)
where:
Base-Base interactions energy: -146.359
where: short stacking energy: -59.456
Base-Backbone interact. energy: -2.232
local terms energy: -73.963502
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -19.056
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -18.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -212.383146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.383146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.383146 (E_RNA)
where:
Base-Base interactions energy: -135.968
where: short stacking energy: -65.051
Base-Backbone interact. energy: -0.318
local terms energy: -76.097245
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -21.348
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: 6
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -188.004750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.004750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.004750 (E_RNA)
where:
Base-Base interactions energy: -117.373
where: short stacking energy: -67.219
Base-Backbone interact. energy: -0.096
local terms energy: -70.535160
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -164.029760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.029760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.029760 (E_RNA)
where:
Base-Base interactions energy: -99.601
where: short stacking energy: -50.872
Base-Backbone interact. energy: -0.000
local terms energy: -64.428521
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -13.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -137.852540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.852540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.852540 (E_RNA)
where:
Base-Base interactions energy: -77.554
where: short stacking energy: -43.410
Base-Backbone interact. energy: 0.229
local terms energy: -60.528132
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -6.266
tors. eta vs tors. theta energy: -12.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -92.866168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.866168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.866168 (E_RNA)
where:
Base-Base interactions energy: -38.035
where: short stacking energy: -35.934
Base-Backbone interact. energy: -0.102
local terms energy: -54.729757
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -3.684
tors. eta vs tors. theta energy: -6.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -151.658314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.658314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.658314 (E_RNA)
where:
Base-Base interactions energy: -92.575
where: short stacking energy: -43.313
Base-Backbone interact. energy: -0.204
local terms energy: -58.879140
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -11.814
flat angles C4'-P-C4' energy: -10.730
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -8.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -98.985566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.985566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.985566 (E_RNA)
where:
Base-Base interactions energy: -35.342
where: short stacking energy: -32.671
Base-Backbone interact. energy: -0.027
local terms energy: -63.616267
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -6.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -85.426894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.426894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.426894 (E_RNA)
where:
Base-Base interactions energy: -39.509
where: short stacking energy: -38.560
Base-Backbone interact. energy: 2.122
local terms energy: -48.039331
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -8.851
flat angles C4'-P-C4' energy: -11.166
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -3.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -75.259017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.259017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.259017 (E_RNA)
where:
Base-Base interactions energy: -23.572
where: short stacking energy: -23.572
Base-Backbone interact. energy: -0.129
local terms energy: -51.558121
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -1.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -220.001135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.001135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.001135 (E_RNA)
where:
Base-Base interactions energy: -146.725
where: short stacking energy: -65.785
Base-Backbone interact. energy: -0.077
local terms energy: -73.198532
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -19.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -218.501759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.501759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.501759 (E_RNA)
where:
Base-Base interactions energy: -150.397
where: short stacking energy: -53.417
Base-Backbone interact. energy: -0.621
local terms energy: -67.483884
where:
bonds (distance) C4'-P energy: -8.600
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -17.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -193.198916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.198916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.198916 (E_RNA)
where:
Base-Base interactions energy: -118.870
where: short stacking energy: -62.827
Base-Backbone interact. energy: -0.001
local terms energy: -74.328226
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -11.790
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: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -158.938249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.938249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.938249 (E_RNA)
where:
Base-Base interactions energy: -95.007
where: short stacking energy: -43.143
Base-Backbone interact. energy: -0.062
local terms energy: -63.869235
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -13.942
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -11.975
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: 5, replica: 4
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -178.723775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.723775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.723775 (E_RNA)
where:
Base-Base interactions energy: -120.653
where: short stacking energy: -67.031
Base-Backbone interact. energy: 0.040
local terms energy: -58.111178
where:
bonds (distance) C4'-P energy: -10.376
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -169.151263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.151263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.151263 (E_RNA)
where:
Base-Base interactions energy: -104.806
where: short stacking energy: -44.239
Base-Backbone interact. energy: -1.889
local terms energy: -62.455919
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -12.074
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -9.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -84.107481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.107481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.107481 (E_RNA)
where:
Base-Base interactions energy: -29.019
where: short stacking energy: -24.016
Base-Backbone interact. energy: 0.308
local terms energy: -55.396169
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -12.421
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: 8, replica: 5
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -88.335957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.335957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.335957 (E_RNA)
where:
Base-Base interactions energy: -36.957
where: short stacking energy: -36.123
Base-Backbone interact. energy: -0.138
local terms energy: -51.240863
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -6.429
tors. eta vs tors. theta energy: -5.277
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: 8
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -86.382864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.382864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.382864 (E_RNA)
where:
Base-Base interactions energy: -40.192
where: short stacking energy: -36.315
Base-Backbone interact. energy: -0.013
local terms energy: -46.177399
where:
bonds (distance) C4'-P energy: -8.004
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -5.954
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: 10, replica: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -72.488915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.488915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.488915 (E_RNA)
where:
Base-Base interactions energy: -30.517
where: short stacking energy: -21.722
Base-Backbone interact. energy: -0.383
local terms energy: -41.589041
where:
bonds (distance) C4'-P energy: -8.291
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -6.659
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: 1, replica: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -211.614993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.614993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.614993 (E_RNA)
where:
Base-Base interactions energy: -139.483
where: short stacking energy: -57.636
Base-Backbone interact. energy: -0.227
local terms energy: -71.905077
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -15.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -219.082406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.082406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.082406 (E_RNA)
where:
Base-Base interactions energy: -142.081
where: short stacking energy: -69.228
Base-Backbone interact. energy: -0.034
local terms energy: -76.967378
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -20.651
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: 144
Temperature: 1.000000
Total energy: -184.081749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.081749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.081749 (E_RNA)
where:
Base-Base interactions energy: -117.213
where: short stacking energy: -59.202
Base-Backbone interact. energy: 0.166
local terms energy: -67.034356
where:
bonds (distance) C4'-P energy: -10.820
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -17.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -186.897967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.897967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.897967 (E_RNA)
where:
Base-Base interactions energy: -118.751
where: short stacking energy: -58.243
Base-Backbone interact. energy: -0.070
local terms energy: -68.077099
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -7.512
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: 5, replica: 3
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -159.408067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.408067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.408067 (E_RNA)
where:
Base-Base interactions energy: -97.302
where: short stacking energy: -40.689
Base-Backbone interact. energy: -0.030
local terms energy: -62.075710
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -9.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -161.945313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.945313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.945313 (E_RNA)
where:
Base-Base interactions energy: -96.350
where: short stacking energy: -58.978
Base-Backbone interact. energy: -0.006
local terms energy: -65.588871
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -13.756
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: 5
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -97.921457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.921457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.921457 (E_RNA)
where:
Base-Base interactions energy: -29.117
where: short stacking energy: -27.386
Base-Backbone interact. energy: -1.672
local terms energy: -67.131792
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -12.641
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: 144
Temperature: 1.250000
Total energy: -87.841936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.841936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.841936 (E_RNA)
where:
Base-Base interactions energy: -37.312
where: short stacking energy: -30.572
Base-Backbone interact. energy: 1.005
local terms energy: -51.535204
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -7.244
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: 9, replica: 10
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -78.594217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.594217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.594217 (E_RNA)
where:
Base-Base interactions energy: -34.630
where: short stacking energy: -14.179
Base-Backbone interact. energy: -0.214
local terms energy: -43.750720
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -6.652
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: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -81.989035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.989035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.989035 (E_RNA)
where:
Base-Base interactions energy: -32.934
where: short stacking energy: -32.934
Base-Backbone interact. energy: -0.080
local terms energy: -48.975912
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -10.189
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -4.958
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: 1, replica: 1
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -223.137336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.137336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.137336 (E_RNA)
where:
Base-Base interactions energy: -150.739
where: short stacking energy: -54.505
Base-Backbone interact. energy: -0.573
local terms energy: -71.825878
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -15.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -223.674071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.674071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.674071 (E_RNA)
where:
Base-Base interactions energy: -141.073
where: short stacking energy: -71.963
Base-Backbone interact. energy: -0.000
local terms energy: -82.601344
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -23.585
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: 145
Temperature: 1.000000
Total energy: -193.532992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.532992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.532992 (E_RNA)
where:
Base-Base interactions energy: -130.566
where: short stacking energy: -69.439
Base-Backbone interact. energy: -1.662
local terms energy: -61.304386
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: -14.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -177.049509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.049509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.049509 (E_RNA)
where:
Base-Base interactions energy: -107.805
where: short stacking energy: -53.403
Base-Backbone interact. energy: -1.220
local terms energy: -68.024949
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -12.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -180.659287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.659287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.659287 (E_RNA)
where:
Base-Base interactions energy: -114.742
where: short stacking energy: -53.988
Base-Backbone interact. energy: -0.207
local terms energy: -65.710419
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -15.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -157.699878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.699878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.699878 (E_RNA)
where:
Base-Base interactions energy: -95.589
where: short stacking energy: -45.926
Base-Backbone interact. energy: -0.192
local terms energy: -61.918985
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -12.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -93.071145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.071145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.071145 (E_RNA)
where:
Base-Base interactions energy: -50.387
where: short stacking energy: -17.939
Base-Backbone interact. energy: -0.617
local terms energy: -42.067958
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -6.968
tors. eta vs tors. theta energy: 4.939
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: 8, replica: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -89.697398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.697398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.697398 (E_RNA)
where:
Base-Base interactions energy: -34.707
where: short stacking energy: -33.249
Base-Backbone interact. energy: -0.628
local terms energy: -54.363230
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -10.048
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -6.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -79.051985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.051985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.051985 (E_RNA)
where:
Base-Base interactions energy: -27.692
where: short stacking energy: -24.166
Base-Backbone interact. energy: -0.023
local terms energy: -51.337194
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -10.323
flat angles P-C4'-P energy: -5.312
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: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -69.745181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.745181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.745181 (E_RNA)
where:
Base-Base interactions energy: -30.247
where: short stacking energy: -30.247
Base-Backbone interact. energy: -0.182
local terms energy: -39.315282
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -3.231
flat angles P-C4'-P energy: -6.950
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: 7
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -228.643904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.643904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.643904 (E_RNA)
where:
Base-Base interactions energy: -148.734
where: short stacking energy: -74.405
Base-Backbone interact. energy: -0.031
local terms energy: -79.878685
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -13.928
tors. eta vs tors. theta energy: -17.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -211.038500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.038500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.038500 (E_RNA)
where:
Base-Base interactions energy: -142.485
where: short stacking energy: -55.112
Base-Backbone interact. energy: -0.657
local terms energy: -67.896824
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -15.435
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -184.780784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.780784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.780784 (E_RNA)
where:
Base-Base interactions energy: -121.660
where: short stacking energy: -73.912
Base-Backbone interact. energy: -0.888
local terms energy: -62.233219
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -8.094
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -18.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -196.237345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.237345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.237345 (E_RNA)
where:
Base-Base interactions energy: -120.133
where: short stacking energy: -64.617
Base-Backbone interact. energy: -0.004
local terms energy: -76.099780
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -20.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -158.125968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.125968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.125968 (E_RNA)
where:
Base-Base interactions energy: -100.445
where: short stacking energy: -42.286
Base-Backbone interact. energy: -0.306
local terms energy: -57.375311
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -8.177
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -11.130
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: 6
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -153.159719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.159719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.159719 (E_RNA)
where:
Base-Base interactions energy: -86.216
where: short stacking energy: -47.072
Base-Backbone interact. energy: -0.303
local terms energy: -66.640511
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -13.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -94.709820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.709820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.709820 (E_RNA)
where:
Base-Base interactions energy: -35.271
where: short stacking energy: -32.452
Base-Backbone interact. energy: -0.014
local terms energy: -59.424869
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -10.789
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: 5
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -81.353205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.353205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.353205 (E_RNA)
where:
Base-Base interactions energy: -29.095
where: short stacking energy: -29.095
Base-Backbone interact. energy: -0.097
local terms energy: -52.160643
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -2.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -84.314248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.314248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.314248 (E_RNA)
where:
Base-Base interactions energy: -31.990
where: short stacking energy: -28.525
Base-Backbone interact. energy: -0.140
local terms energy: -52.184181
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -8.345
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -6.303
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: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -80.050333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.050333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.050333 (E_RNA)
where:
Base-Base interactions energy: -29.269
where: short stacking energy: -27.085
Base-Backbone interact. energy: -0.131
local terms energy: -50.650405
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -10.043
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -0.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -225.947192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.947192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.947192 (E_RNA)
where:
Base-Base interactions energy: -149.158
where: short stacking energy: -70.910
Base-Backbone interact. energy: -0.021
local terms energy: -76.767409
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -18.059
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -19.535
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: 1
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -208.982918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.982918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.982918 (E_RNA)
where:
Base-Base interactions energy: -135.817
where: short stacking energy: -60.836
Base-Backbone interact. energy: -0.592
local terms energy: -72.573806
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -8.750
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: 3, replica: 3
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -180.783828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.783828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.783828 (E_RNA)
where:
Base-Base interactions energy: -108.778
where: short stacking energy: -47.800
Base-Backbone interact. energy: -0.854
local terms energy: -71.152092
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -17.820
flat angles P-C4'-P energy: -10.007
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: 4, replica: 2
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -196.197425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.197425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.197425 (E_RNA)
where:
Base-Base interactions energy: -123.762
where: short stacking energy: -72.931
Base-Backbone interact. energy: -0.247
local terms energy: -72.188300
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -20.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -166.481190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.481190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.481190 (E_RNA)
where:
Base-Base interactions energy: -102.296
where: short stacking energy: -51.017
Base-Backbone interact. energy: -0.177
local terms energy: -64.008660
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -18.428
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -9.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -168.008067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.008067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.008067 (E_RNA)
where:
Base-Base interactions energy: -101.680
where: short stacking energy: -46.191
Base-Backbone interact. energy: -0.004
local terms energy: -66.324538
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -12.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -102.043669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.043669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.043669 (E_RNA)
where:
Base-Base interactions energy: -46.001
where: short stacking energy: -27.131
Base-Backbone interact. energy: -0.021
local terms energy: -56.021519
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -6.558
tors. eta vs tors. theta energy: -4.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -87.872027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.872027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.872027 (E_RNA)
where:
Base-Base interactions energy: -39.668
where: short stacking energy: -35.175
Base-Backbone interact. energy: -0.029
local terms energy: -48.174361
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -9.862
flat angles P-C4'-P energy: -2.896
tors. eta vs tors. theta energy: -8.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -86.215926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.215926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.215926 (E_RNA)
where:
Base-Base interactions energy: -30.429
where: short stacking energy: -30.429
Base-Backbone interact. energy: -0.077
local terms energy: -55.710065
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -3.916
tors. eta vs tors. theta energy: -5.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -90.633379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.633379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.633379 (E_RNA)
where:
Base-Base interactions energy: -39.064
where: short stacking energy: -29.676
Base-Backbone interact. energy: -0.822
local terms energy: -50.747203
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -11.777
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -6.535
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: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -216.749709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.749709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.749709 (E_RNA)
where:
Base-Base interactions energy: -143.692
where: short stacking energy: -58.696
Base-Backbone interact. energy: -1.371
local terms energy: -71.686120
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -17.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -220.128217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.128217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.128217 (E_RNA)
where:
Base-Base interactions energy: -143.203
where: short stacking energy: -74.117
Base-Backbone interact. energy: -0.372
local terms energy: -76.553697
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -21.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -183.957258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.957258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.957258 (E_RNA)
where:
Base-Base interactions energy: -120.284
where: short stacking energy: -64.275
Base-Backbone interact. energy: -0.662
local terms energy: -63.010795
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -10.127
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -15.156
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: 3
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -190.284558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.284558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.284558 (E_RNA)
where:
Base-Base interactions energy: -117.622
where: short stacking energy: -62.004
Base-Backbone interact. energy: -0.052
local terms energy: -72.610513
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -17.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -174.845652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.845652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.845652 (E_RNA)
where:
Base-Base interactions energy: -103.587
where: short stacking energy: -47.275
Base-Backbone interact. energy: -0.054
local terms energy: -71.204127
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -14.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -148.560391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.560391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.560391 (E_RNA)
where:
Base-Base interactions energy: -83.449
where: short stacking energy: -45.188
Base-Backbone interact. energy: -0.045
local terms energy: -65.067177
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -13.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -97.494243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.494243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.494243 (E_RNA)
where:
Base-Base interactions energy: -40.221
where: short stacking energy: -39.308
Base-Backbone interact. energy: -0.221
local terms energy: -57.052298
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -14.376
flat angles P-C4'-P energy: -4.263
tors. eta vs tors. theta energy: -9.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -86.827585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.827585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.827585 (E_RNA)
where:
Base-Base interactions energy: -34.717
where: short stacking energy: -33.172
Base-Backbone interact. energy: -0.364
local terms energy: -51.746995
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -2.530
tors. eta vs tors. theta energy: -8.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -81.187988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.187988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.187988 (E_RNA)
where:
Base-Base interactions energy: -45.708
where: short stacking energy: -33.830
Base-Backbone interact. energy: -0.685
local terms energy: -34.794583
where:
bonds (distance) C4'-P energy: -5.889
bonds (distance) P-C4' energy: -9.373
flat angles C4'-P-C4' energy: -9.576
flat angles P-C4'-P energy: -6.947
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: 5
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -97.718493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.718493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.718493 (E_RNA)
where:
Base-Base interactions energy: -51.807
where: short stacking energy: -25.100
Base-Backbone interact. energy: -0.661
local terms energy: -45.251189
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -4.876
tors. eta vs tors. theta energy: -0.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -227.906493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.906493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.906493 (E_RNA)
where:
Base-Base interactions energy: -158.681
where: short stacking energy: -60.713
Base-Backbone interact. energy: -0.283
local terms energy: -68.942960
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -16.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -200.374724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.374724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.374724 (E_RNA)
where:
Base-Base interactions energy: -120.747
where: short stacking energy: -68.548
Base-Backbone interact. energy: -0.070
local terms energy: -79.558585
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -22.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -217.653138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.653138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.653138 (E_RNA)
where:
Base-Base interactions energy: -148.239
where: short stacking energy: -71.511
Base-Backbone interact. energy: -0.033
local terms energy: -69.381096
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -21.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -188.028857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.028857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.028857 (E_RNA)
where:
Base-Base interactions energy: -113.055
where: short stacking energy: -60.517
Base-Backbone interact. energy: -1.550
local terms energy: -73.424351
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -18.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -176.045926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.045926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.045926 (E_RNA)
where:
Base-Base interactions energy: -118.534
where: short stacking energy: -59.901
Base-Backbone interact. energy: -0.578
local terms energy: -56.933907
where:
bonds (distance) C4'-P energy: -9.445
bonds (distance) P-C4' energy: -12.016
flat angles C4'-P-C4' energy: -10.916
flat angles P-C4'-P energy: -8.673
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: 6, replica: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -140.639725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.639725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.639725 (E_RNA)
where:
Base-Base interactions energy: -78.611
where: short stacking energy: -43.440
Base-Backbone interact. energy: -0.398
local terms energy: -61.630237
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -8.505
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: 8
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -94.926029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.926029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.926029 (E_RNA)
where:
Base-Base interactions energy: -42.304
where: short stacking energy: -39.717
Base-Backbone interact. energy: -0.054
local terms energy: -52.568291
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -10.507
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -2.684
tors. eta vs tors. theta energy: -9.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -93.328373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.328373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.328373 (E_RNA)
where:
Base-Base interactions energy: -33.926
where: short stacking energy: -33.926
Base-Backbone interact. energy: -0.861
local terms energy: -58.540779
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -9.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -81.834248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.834248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.834248 (E_RNA)
where:
Base-Base interactions energy: -28.371
where: short stacking energy: -26.792
Base-Backbone interact. energy: -0.228
local terms energy: -53.236042
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -7.382
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: 10, replica: 5
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -85.264915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.264915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.264915 (E_RNA)
where:
Base-Base interactions energy: -29.656
where: short stacking energy: -29.656
Base-Backbone interact. energy: -0.108
local terms energy: -55.501293
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -3.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -220.829348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.829348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.829348 (E_RNA)
where:
Base-Base interactions energy: -143.443
where: short stacking energy: -69.149
Base-Backbone interact. energy: -0.000
local terms energy: -77.385901
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -9.722
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -23.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -196.543149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.543149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.543149 (E_RNA)
where:
Base-Base interactions energy: -123.772
where: short stacking energy: -65.054
Base-Backbone interact. energy: -0.002
local terms energy: -72.769756
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -15.834
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -11.400
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: 3, replica: 7
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -215.580688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.580688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.580688 (E_RNA)
where:
Base-Base interactions energy: -144.699
where: short stacking energy: -69.423
Base-Backbone interact. energy: -0.329
local terms energy: -70.553168
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -16.391
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -9.191
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: 4, replica: 6
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -178.125619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.125619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.125619 (E_RNA)
where:
Base-Base interactions energy: -113.937
where: short stacking energy: -50.699
Base-Backbone interact. energy: -0.112
local terms energy: -64.077051
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -10.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -162.177445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.177445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.177445 (E_RNA)
where:
Base-Base interactions energy: -89.035
where: short stacking energy: -55.122
Base-Backbone interact. energy: -0.138
local terms energy: -73.004200
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -13.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -163.412857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.412857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.412857 (E_RNA)
where:
Base-Base interactions energy: -96.278
where: short stacking energy: -49.533
Base-Backbone interact. energy: 0.093
local terms energy: -67.228443
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -6.270
tors. eta vs tors. theta energy: -15.612
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: 10
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -83.905490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.905490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.905490 (E_RNA)
where:
Base-Base interactions energy: -41.876
where: short stacking energy: -31.746
Base-Backbone interact. energy: -0.377
local terms energy: -41.653005
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -8.727
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: 0.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -81.714406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.714406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.714406 (E_RNA)
where:
Base-Base interactions energy: -36.279
where: short stacking energy: -27.480
Base-Backbone interact. energy: -0.178
local terms energy: -45.257113
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -10.175
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -1.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -87.029565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.029565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.029565 (E_RNA)
where:
Base-Base interactions energy: -34.558
where: short stacking energy: -34.558
Base-Backbone interact. energy: -0.014
local terms energy: -52.457007
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -5.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -75.843863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.843863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.843863 (E_RNA)
where:
Base-Base interactions energy: -34.461
where: short stacking energy: -26.669
Base-Backbone interact. energy: -0.131
local terms energy: -41.251372
where:
bonds (distance) C4'-P energy: -8.028
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -3.915
tors. eta vs tors. theta energy: -0.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -224.436110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.436110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.436110 (E_RNA)
where:
Base-Base interactions energy: -146.453
where: short stacking energy: -65.063
Base-Backbone interact. energy: -0.001
local terms energy: -77.982958
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -11.200
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: 7
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -222.673191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.673191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.673191 (E_RNA)
where:
Base-Base interactions energy: -143.839
where: short stacking energy: -65.846
Base-Backbone interact. energy: -0.196
local terms energy: -78.638584
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -18.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -194.562249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.562249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.562249 (E_RNA)
where:
Base-Base interactions energy: -112.563
where: short stacking energy: -67.505
Base-Backbone interact. energy: -0.004
local terms energy: -81.995188
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -19.168
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -20.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -173.313650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.313650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.313650 (E_RNA)
where:
Base-Base interactions energy: -110.163
where: short stacking energy: -52.471
Base-Backbone interact. energy: -0.119
local terms energy: -63.031332
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -8.526
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: 3
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -173.750167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.750167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.750167 (E_RNA)
where:
Base-Base interactions energy: -108.004
where: short stacking energy: -61.419
Base-Backbone interact. energy: -0.626
local terms energy: -65.120107
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -12.546
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: 6, replica: 4
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -157.561167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.561167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.561167 (E_RNA)
where:
Base-Base interactions energy: -92.476
where: short stacking energy: -55.727
Base-Backbone interact. energy: -0.042
local terms energy: -65.043272
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -12.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -99.587240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.587240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.587240 (E_RNA)
where:
Base-Base interactions energy: -41.440
where: short stacking energy: -41.440
Base-Backbone interact. energy: -0.334
local terms energy: -57.813142
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -6.266
tors. eta vs tors. theta energy: -7.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -79.884198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.884198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.884198 (E_RNA)
where:
Base-Base interactions energy: -33.346
where: short stacking energy: -29.130
Base-Backbone interact. energy: 0.011
local terms energy: -46.549892
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: -1.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -89.208918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.208918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.208918 (E_RNA)
where:
Base-Base interactions energy: -33.534
where: short stacking energy: -30.732
Base-Backbone interact. energy: -0.313
local terms energy: -55.361462
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -3.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -89.223198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.223198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.223198 (E_RNA)
where:
Base-Base interactions energy: -36.329
where: short stacking energy: -34.291
Base-Backbone interact. energy: 0.866
local terms energy: -53.760229
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -6.275
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: 1, replica: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -226.833672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.833672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.833672 (E_RNA)
where:
Base-Base interactions energy: -145.516
where: short stacking energy: -65.485
Base-Backbone interact. energy: -1.015
local terms energy: -80.302468
where:
bonds (distance) C4'-P energy: -17.431
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -19.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -222.312669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.312669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.312669 (E_RNA)
where:
Base-Base interactions energy: -141.188
where: short stacking energy: -68.105
Base-Backbone interact. energy: -1.587
local terms energy: -79.538476
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -12.177
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: 2
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -193.811291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.811291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.811291 (E_RNA)
where:
Base-Base interactions energy: -121.748
where: short stacking energy: -68.594
Base-Backbone interact. energy: 0.413
local terms energy: -72.475633
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -17.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -170.048972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.048972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.048972 (E_RNA)
where:
Base-Base interactions energy: -105.344
where: short stacking energy: -52.106
Base-Backbone interact. energy: -0.148
local terms energy: -64.557534
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -14.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -164.564828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.564828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.564828 (E_RNA)
where:
Base-Base interactions energy: -96.812
where: short stacking energy: -60.321
Base-Backbone interact. energy: -0.094
local terms energy: -67.658841
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -15.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -164.300110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.300110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.300110 (E_RNA)
where:
Base-Base interactions energy: -106.479
where: short stacking energy: -55.375
Base-Backbone interact. energy: -0.002
local terms energy: -57.819164
where:
bonds (distance) C4'-P energy: -10.313
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -4.394
tors. eta vs tors. theta energy: -14.624
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: 5
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -99.585948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.585948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.585948 (E_RNA)
where:
Base-Base interactions energy: -40.301
where: short stacking energy: -37.989
Base-Backbone interact. energy: 0.071
local terms energy: -59.356079
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -8.691
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: 152
Temperature: 1.250000
Total energy: -86.417134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.417134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.417134 (E_RNA)
where:
Base-Base interactions energy: -42.702
where: short stacking energy: -32.283
Base-Backbone interact. energy: 1.031
local terms energy: -44.745996
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -4.350
tors. eta vs tors. theta energy: -3.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -75.663593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.663593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.663593 (E_RNA)
where:
Base-Base interactions energy: -27.927
where: short stacking energy: -19.631
Base-Backbone interact. energy: 0.865
local terms energy: -48.601668
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: 0.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -79.421099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.421099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.421099 (E_RNA)
where:
Base-Base interactions energy: -27.413
where: short stacking energy: -22.048
Base-Backbone interact. energy: -0.058
local terms energy: -51.950314
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -6.069
tors. eta vs tors. theta energy: -1.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -208.584136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.584136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.584136 (E_RNA)
where:
Base-Base interactions energy: -131.751
where: short stacking energy: -53.965
Base-Backbone interact. energy: -1.281
local terms energy: -75.553056
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -18.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -210.917410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.917410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.917410 (E_RNA)
where:
Base-Base interactions energy: -136.057
where: short stacking energy: -65.704
Base-Backbone interact. energy: -0.011
local terms energy: -74.849382
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -19.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -188.194628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.194628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.194628 (E_RNA)
where:
Base-Base interactions energy: -115.622
where: short stacking energy: -52.774
Base-Backbone interact. energy: -0.025
local terms energy: -72.547411
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -14.100
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: 6
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -179.598262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.598262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.598262 (E_RNA)
where:
Base-Base interactions energy: -110.082
where: short stacking energy: -55.170
Base-Backbone interact. energy: -0.067
local terms energy: -69.449295
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -14.261
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -11.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -153.205814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.205814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.205814 (E_RNA)
where:
Base-Base interactions energy: -96.709
where: short stacking energy: -51.968
Base-Backbone interact. energy: -0.127
local terms energy: -56.369342
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -3.770
tors. eta vs tors. theta energy: -8.532
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: 153
Temperature: 1.150000
Total energy: -160.274376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.274376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.274376 (E_RNA)
where:
Base-Base interactions energy: -97.206
where: short stacking energy: -43.548
Base-Backbone interact. energy: -0.700
local terms energy: -62.368134
where:
bonds (distance) C4'-P energy: -17.439
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -7.733
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: 7, replica: 5
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -93.465778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.465778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.465778 (E_RNA)
where:
Base-Base interactions energy: -50.150
where: short stacking energy: -34.833
Base-Backbone interact. energy: -0.321
local terms energy: -42.994077
where:
bonds (distance) C4'-P energy: -10.124
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -8.867
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -3.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -85.273263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.273263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.273263 (E_RNA)
where:
Base-Base interactions energy: -36.263
where: short stacking energy: -23.168
Base-Backbone interact. energy: -2.949
local terms energy: -46.061784
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -10.334
flat angles P-C4'-P energy: -5.405
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: 9, replica: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -90.187812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.187812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.187812 (E_RNA)
where:
Base-Base interactions energy: -28.635
where: short stacking energy: -28.371
Base-Backbone interact. energy: -0.096
local terms energy: -61.456744
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -9.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -94.013587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.013587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.013587 (E_RNA)
where:
Base-Base interactions energy: -48.941
where: short stacking energy: -35.542
Base-Backbone interact. energy: 0.358
local terms energy: -45.429777
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -1.793
tors. eta vs tors. theta energy: -6.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -226.690228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.690228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.690228 (E_RNA)
where:
Base-Base interactions energy: -146.032
where: short stacking energy: -73.357
Base-Backbone interact. energy: -0.248
local terms energy: -80.410215
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -18.188
flat angles P-C4'-P energy: -9.712
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: 2, replica: 1
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -220.224790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.224790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.224790 (E_RNA)
where:
Base-Base interactions energy: -145.795
where: short stacking energy: -65.282
Base-Backbone interact. energy: -0.401
local terms energy: -74.029192
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -19.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -189.287315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.287315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.287315 (E_RNA)
where:
Base-Base interactions energy: -115.411
where: short stacking energy: -65.176
Base-Backbone interact. energy: -0.099
local terms energy: -73.776817
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -19.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -176.906808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.906808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.906808 (E_RNA)
where:
Base-Base interactions energy: -109.283
where: short stacking energy: -66.542
Base-Backbone interact. energy: 0.142
local terms energy: -67.765164
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -16.259
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: 154
Temperature: 1.100000
Total energy: -155.958654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.958654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.958654 (E_RNA)
where:
Base-Base interactions energy: -80.695
where: short stacking energy: -48.091
Base-Backbone interact. energy: -0.003
local terms energy: -75.260883
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -18.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -153.524828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.524828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.524828 (E_RNA)
where:
Base-Base interactions energy: -91.830
where: short stacking energy: -49.385
Base-Backbone interact. energy: -0.628
local terms energy: -61.066448
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -10.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -81.850113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.850113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.850113 (E_RNA)
where:
Base-Base interactions energy: -31.237
where: short stacking energy: -31.237
Base-Backbone interact. energy: 4.080
local terms energy: -54.693064
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -6.607
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: 8, replica: 5
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -82.856146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.856146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.856146 (E_RNA)
where:
Base-Base interactions energy: -29.531
where: short stacking energy: -29.531
Base-Backbone interact. energy: -0.063
local terms energy: -53.261840
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -2.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -76.675606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.675606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.675606 (E_RNA)
where:
Base-Base interactions energy: -26.930
where: short stacking energy: -24.196
Base-Backbone interact. energy: -1.184
local terms energy: -48.561846
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -7.258
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: 10, replica: 9
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -77.266313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.266313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.266313 (E_RNA)
where:
Base-Base interactions energy: -33.589
where: short stacking energy: -27.070
Base-Backbone interact. energy: 0.224
local terms energy: -43.901345
where:
bonds (distance) C4'-P energy: -6.366
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -8.317
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: 1, replica: 7
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -227.895743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.895743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.895743 (E_RNA)
where:
Base-Base interactions energy: -149.693
where: short stacking energy: -75.057
Base-Backbone interact. energy: -0.012
local terms energy: -78.191207
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -14.579
tors. eta vs tors. theta energy: -20.032
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: 1
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -223.809828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.809828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.809828 (E_RNA)
where:
Base-Base interactions energy: -144.082
where: short stacking energy: -66.787
Base-Backbone interact. energy: -0.001
local terms energy: -79.726545
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -19.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -186.055953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.055953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.055953 (E_RNA)
where:
Base-Base interactions energy: -113.132
where: short stacking energy: -61.145
Base-Backbone interact. energy: -0.002
local terms energy: -72.922097
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -16.021
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -10.330
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: 4, replica: 4
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -153.334100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.334100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.334100 (E_RNA)
where:
Base-Base interactions energy: -89.536
where: short stacking energy: -53.171
Base-Backbone interact. energy: -0.238
local terms energy: -63.560749
where:
bonds (distance) C4'-P energy: -10.817
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -12.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -166.901277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.901277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.901277 (E_RNA)
where:
Base-Base interactions energy: -101.242
where: short stacking energy: -52.884
Base-Backbone interact. energy: -0.259
local terms energy: -65.400386
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -8.487
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: 3
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -157.527452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.527452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.527452 (E_RNA)
where:
Base-Base interactions energy: -103.607
where: short stacking energy: -50.532
Base-Backbone interact. energy: -0.429
local terms energy: -53.491962
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -9.184
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -10.207
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: 155
Temperature: 1.200000
Total energy: -86.313587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.313587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.313587 (E_RNA)
where:
Base-Base interactions energy: -31.752
where: short stacking energy: -31.752
Base-Backbone interact. energy: -0.068
local terms energy: -54.494219
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -2.236
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: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -130.038524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.038524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.038524 (E_RNA)
where:
Base-Base interactions energy: -72.109
where: short stacking energy: -33.120
Base-Backbone interact. energy: -0.279
local terms energy: -57.651172
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -10.300
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: 5
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -84.433076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.433076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.433076 (E_RNA)
where:
Base-Base interactions energy: -32.678
where: short stacking energy: -31.280
Base-Backbone interact. energy: -0.059
local terms energy: -51.696690
where:
bonds (distance) C4'-P energy: -10.219
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -4.179
tors. eta vs tors. theta energy: -10.083
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: 9
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -83.139860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.139860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.139860 (E_RNA)
where:
Base-Base interactions energy: -37.496
where: short stacking energy: -26.327
Base-Backbone interact. energy: -0.214
local terms energy: -45.429350
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -4.650
flat angles C4'-P-C4' energy: -9.962
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -3.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -227.769758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.769758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.769758 (E_RNA)
where:
Base-Base interactions energy: -145.635
where: short stacking energy: -76.979
Base-Backbone interact. energy: -0.102
local terms energy: -82.033095
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -12.961
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: 1
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -221.783881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.783881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.783881 (E_RNA)
where:
Base-Base interactions energy: -146.900
where: short stacking energy: -59.784
Base-Backbone interact. energy: -0.109
local terms energy: -74.774559
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -18.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -179.432287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.432287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.432287 (E_RNA)
where:
Base-Base interactions energy: -109.178
where: short stacking energy: -49.215
Base-Backbone interact. energy: 0.593
local terms energy: -70.846586
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -13.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -185.545082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.545082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.545082 (E_RNA)
where:
Base-Base interactions energy: -120.985
where: short stacking energy: -66.671
Base-Backbone interact. energy: -0.013
local terms energy: -64.547671
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -12.462
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -10.746
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: 5, replica: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -162.795930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.795930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.795930 (E_RNA)
where:
Base-Base interactions energy: -101.968
where: short stacking energy: -52.282
Base-Backbone interact. energy: -0.387
local terms energy: -60.441460
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -13.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -132.117936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.117936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.117936 (E_RNA)
where:
Base-Base interactions energy: -73.235
where: short stacking energy: -36.856
Base-Backbone interact. energy: -0.375
local terms energy: -58.508438
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -3.683
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: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -108.792317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.792317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.792317 (E_RNA)
where:
Base-Base interactions energy: -55.652
where: short stacking energy: -33.793
Base-Backbone interact. energy: -0.258
local terms energy: -52.882168
where:
bonds (distance) C4'-P energy: -9.549
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -7.204
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: 8, replica: 8
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -88.688438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.688438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.688438 (E_RNA)
where:
Base-Base interactions energy: -40.459
where: short stacking energy: -32.861
Base-Backbone interact. energy: 1.536
local terms energy: -49.766092
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -6.486
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: 9, replica: 5
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -78.563237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.563237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.563237 (E_RNA)
where:
Base-Base interactions energy: -25.097
where: short stacking energy: -18.024
Base-Backbone interact. energy: -0.608
local terms energy: -52.858652
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: 0.530
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: 9
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -91.770564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.770564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.770564 (E_RNA)
where:
Base-Base interactions energy: -48.469
where: short stacking energy: -30.566
Base-Backbone interact. energy: -0.061
local terms energy: -43.240032
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: 2.205
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: 7
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -228.101357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.101357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.101357 (E_RNA)
where:
Base-Base interactions energy: -149.798
where: short stacking energy: -77.571
Base-Backbone interact. energy: -0.325
local terms energy: -77.978005
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -21.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -217.703271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.703271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.703271 (E_RNA)
where:
Base-Base interactions energy: -142.319
where: short stacking energy: -74.066
Base-Backbone interact. energy: -0.074
local terms energy: -75.310489
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -21.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -181.670681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.670681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.670681 (E_RNA)
where:
Base-Base interactions energy: -113.887
where: short stacking energy: -53.954
Base-Backbone interact. energy: -0.085
local terms energy: -67.698335
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -14.734
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: 4, replica: 3
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -179.363211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.363211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.363211 (E_RNA)
where:
Base-Base interactions energy: -120.775
where: short stacking energy: -66.794
Base-Backbone interact. energy: -0.051
local terms energy: -58.537332
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -9.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -166.499617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.499617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.499617 (E_RNA)
where:
Base-Base interactions energy: -103.981
where: short stacking energy: -48.634
Base-Backbone interact. energy: -0.705
local terms energy: -61.814366
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -12.090
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -13.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -142.306216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.306216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.306216 (E_RNA)
where:
Base-Base interactions energy: -92.149
where: short stacking energy: -49.764
Base-Backbone interact. energy: -1.105
local terms energy: -49.052469
where:
bonds (distance) C4'-P energy: -8.224
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -7.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -95.778163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.778163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.778163 (E_RNA)
where:
Base-Base interactions energy: -46.870
where: short stacking energy: -33.949
Base-Backbone interact. energy: -0.190
local terms energy: -48.718146
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -3.707
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: 8, replica: 8
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -99.111301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.111301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.111301 (E_RNA)
where:
Base-Base interactions energy: -45.999
where: short stacking energy: -33.727
Base-Backbone interact. energy: 0.017
local terms energy: -53.129199
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -11.687
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: 5
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -86.317990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.317990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.317990 (E_RNA)
where:
Base-Base interactions energy: -33.076
where: short stacking energy: -33.076
Base-Backbone interact. energy: -0.044
local terms energy: -53.198380
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -2.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -79.815722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.815722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.815722 (E_RNA)
where:
Base-Base interactions energy: -34.774
where: short stacking energy: -30.050
Base-Backbone interact. energy: 0.396
local terms energy: -45.438418
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: -2.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -223.484223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.484223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.484223 (E_RNA)
where:
Base-Base interactions energy: -142.900
where: short stacking energy: -62.150
Base-Backbone interact. energy: -1.422
local terms energy: -79.161346
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -22.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -215.913918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.913918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.913918 (E_RNA)
where:
Base-Base interactions energy: -136.046
where: short stacking energy: -63.084
Base-Backbone interact. energy: -0.045
local terms energy: -79.822157
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -10.910
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: 3, replica: 3
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -166.215394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.215394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.215394 (E_RNA)
where:
Base-Base interactions energy: -92.582
where: short stacking energy: -56.724
Base-Backbone interact. energy: -0.600
local terms energy: -73.033971
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -13.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -175.439406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.439406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.439406 (E_RNA)
where:
Base-Base interactions energy: -113.733
where: short stacking energy: -49.381
Base-Backbone interact. energy: -1.030
local terms energy: -60.676087
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -11.714
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -14.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -169.516768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.516768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.516768 (E_RNA)
where:
Base-Base interactions energy: -103.864
where: short stacking energy: -57.432
Base-Backbone interact. energy: -0.052
local terms energy: -65.600897
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -14.995
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: 158
Temperature: 1.150000
Total energy: -134.249221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.249221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.249221 (E_RNA)
where:
Base-Base interactions energy: -74.059
where: short stacking energy: -32.533
Base-Backbone interact. energy: -0.202
local terms energy: -59.988895
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -4.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -116.756213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.756213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.756213 (E_RNA)
where:
Base-Base interactions energy: -67.746
where: short stacking energy: -32.937
Base-Backbone interact. energy: -0.910
local terms energy: -48.099761
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -9.754
flat angles C4'-P-C4' energy: -10.072
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -7.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -99.265117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.265117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.265117 (E_RNA)
where:
Base-Base interactions energy: -57.082
where: short stacking energy: -20.335
Base-Backbone interact. energy: -0.267
local terms energy: -41.916751
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: 3.645
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: 9
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -79.994822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.994822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.994822 (E_RNA)
where:
Base-Base interactions energy: -40.253
where: short stacking energy: -25.971
Base-Backbone interact. energy: -0.081
local terms energy: -39.661501
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -9.264
flat angles P-C4'-P energy: -1.526
tors. eta vs tors. theta energy: -0.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -83.185658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.185658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.185658 (E_RNA)
where:
Base-Base interactions energy: -34.547
where: short stacking energy: -27.866
Base-Backbone interact. energy: 1.875
local terms energy: -50.514212
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -7.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -223.029715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.029715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.029715 (E_RNA)
where:
Base-Base interactions energy: -143.495
where: short stacking energy: -70.456
Base-Backbone interact. energy: -1.395
local terms energy: -78.140521
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -12.978
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: 7
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -226.245913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.245913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.245913 (E_RNA)
where:
Base-Base interactions energy: -147.604
where: short stacking energy: -65.110
Base-Backbone interact. energy: -1.529
local terms energy: -77.113747
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -20.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -166.347434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.347434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.347434 (E_RNA)
where:
Base-Base interactions energy: -97.350
where: short stacking energy: -53.479
Base-Backbone interact. energy: -0.235
local terms energy: -68.762721
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -11.234
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: 4, replica: 2
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -166.472206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.472206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.472206 (E_RNA)
where:
Base-Base interactions energy: -106.712
where: short stacking energy: -44.949
Base-Backbone interact. energy: -0.779
local terms energy: -58.980804
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -7.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -152.754431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.754431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.754431 (E_RNA)
where:
Base-Base interactions energy: -88.706
where: short stacking energy: -51.803
Base-Backbone interact. energy: 0.501
local terms energy: -64.549465
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -11.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -119.986000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.986000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.986000 (E_RNA)
where:
Base-Base interactions energy: -68.835
where: short stacking energy: -36.818
Base-Backbone interact. energy: -0.200
local terms energy: -50.950968
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -1.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -133.480582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.480582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.480582 (E_RNA)
where:
Base-Base interactions energy: -73.022
where: short stacking energy: -39.538
Base-Backbone interact. energy: -0.980
local terms energy: -59.478477
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -8.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -82.950700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.950700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.950700 (E_RNA)
where:
Base-Base interactions energy: -31.500
where: short stacking energy: -31.500
Base-Backbone interact. energy: 0.455
local terms energy: -51.905932
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -10.093
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -5.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -92.946890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.946890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.946890 (E_RNA)
where:
Base-Base interactions energy: -42.326
where: short stacking energy: -23.331
Base-Backbone interact. energy: -0.027
local terms energy: -50.594847
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -6.189
tors. eta vs tors. theta energy: -2.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -82.407688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.407688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.407688 (E_RNA)
where:
Base-Base interactions energy: -34.977
where: short stacking energy: -34.182
Base-Backbone interact. energy: -0.399
local terms energy: -47.031476
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -9.676
flat angles C4'-P-C4' energy: -10.106
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -6.977
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: 7
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -220.431342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.431342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.431342 (E_RNA)
where:
Base-Base interactions energy: -141.973
where: short stacking energy: -63.719
Base-Backbone interact. energy: -1.603
local terms energy: -76.855282
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -9.416
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: 2, replica: 1
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -228.010176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.010176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.010176 (E_RNA)
where:
Base-Base interactions energy: -148.302
where: short stacking energy: -73.458
Base-Backbone interact. energy: -0.007
local terms energy: -79.700565
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -23.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -174.103600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.103600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.103600 (E_RNA)
where:
Base-Base interactions energy: -107.517
where: short stacking energy: -48.646
Base-Backbone interact. energy: -0.412
local terms energy: -66.174824
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -9.463
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: 4, replica: 3
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -157.419739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.419739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.419739 (E_RNA)
where:
Base-Base interactions energy: -90.177
where: short stacking energy: -46.637
Base-Backbone interact. energy: -0.040
local terms energy: -67.202149
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -11.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -153.076297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.076297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.076297 (E_RNA)
where:
Base-Base interactions energy: -99.529
where: short stacking energy: -58.494
Base-Backbone interact. energy: -0.001
local terms energy: -53.546366
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -8.927
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: -10.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -94.840578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.840578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.840578 (E_RNA)
where:
Base-Base interactions energy: -46.341
where: short stacking energy: -32.177
Base-Backbone interact. energy: -0.351
local terms energy: -48.148154
where:
bonds (distance) C4'-P energy: -7.044
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -9.953
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: 7, replica: 6
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -137.296187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.296187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.296187 (E_RNA)
where:
Base-Base interactions energy: -89.834
where: short stacking energy: -40.715
Base-Backbone interact. energy: -0.146
local terms energy: -47.316183
where:
bonds (distance) C4'-P energy: -6.444
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -7.959
flat angles P-C4'-P energy: -5.730
tors. eta vs tors. theta energy: -11.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -90.432918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.432918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.432918 (E_RNA)
where:
Base-Base interactions energy: -34.345
where: short stacking energy: -34.345
Base-Backbone interact. energy: -0.177
local terms energy: -55.910603
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -5.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -85.886604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.886604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.886604 (E_RNA)
where:
Base-Base interactions energy: -42.052
where: short stacking energy: -30.197
Base-Backbone interact. energy: -0.107
local terms energy: -43.727365
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -5.404
tors. eta vs tors. theta energy: -3.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -78.188793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.188793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.188793 (E_RNA)
where:
Base-Base interactions energy: -32.261
where: short stacking energy: -23.295
Base-Backbone interact. energy: 1.399
local terms energy: -47.326690
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: -1.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -222.930739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.930739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.930739 (E_RNA)
where:
Base-Base interactions energy: -149.295
where: short stacking energy: -67.065
Base-Backbone interact. energy: -0.000
local terms energy: -73.635564
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -18.756
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: 2, replica: 2
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -206.835193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.835193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.835193 (E_RNA)
where:
Base-Base interactions energy: -129.018
where: short stacking energy: -69.898
Base-Backbone interact. energy: -0.007
local terms energy: -77.809760
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -18.608
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -18.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -215.725933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.725933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.725933 (E_RNA)
where:
Base-Base interactions energy: -140.306
where: short stacking energy: -68.090
Base-Backbone interact. energy: 0.099
local terms energy: -75.519719
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -20.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -172.811029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.811029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.811029 (E_RNA)
where:
Base-Base interactions energy: -114.503
where: short stacking energy: -53.700
Base-Backbone interact. energy: -0.063
local terms energy: -58.244681
where:
bonds (distance) C4'-P energy: -7.001
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -10.934
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: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -163.577374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.577374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.577374 (E_RNA)
where:
Base-Base interactions energy: -96.067
where: short stacking energy: -50.851
Base-Backbone interact. energy: -0.006
local terms energy: -67.504786
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -12.032
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: 161
Temperature: 1.150000
Total energy: -161.023521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.023521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.023521 (E_RNA)
where:
Base-Base interactions energy: -98.490
where: short stacking energy: -46.618
Base-Backbone interact. energy: 0.263
local terms energy: -62.796713
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -9.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -89.477050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.477050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.477050 (E_RNA)
where:
Base-Base interactions energy: -35.148
where: short stacking energy: -29.285
Base-Backbone interact. energy: -0.065
local terms energy: -54.263588
where:
bonds (distance) C4'-P energy: -10.874
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -10.993
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: 8, replica: 8
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -83.287944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.287944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.287944 (E_RNA)
where:
Base-Base interactions energy: -33.463
where: short stacking energy: -32.067
Base-Backbone interact. energy: -0.074
local terms energy: -49.750329
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -11.067
flat angles P-C4'-P energy: -8.696
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: 9, replica: 9
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -93.466715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.466715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.466715 (E_RNA)
where:
Base-Base interactions energy: -41.203
where: short stacking energy: -41.203
Base-Backbone interact. energy: -1.002
local terms energy: -51.261817
where:
bonds (distance) C4'-P energy: -9.450
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -11.887
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: 10, replica: 5
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -77.984038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.984038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.984038 (E_RNA)
where:
Base-Base interactions energy: -28.018
where: short stacking energy: -27.727
Base-Backbone interact. energy: -0.236
local terms energy: -49.729924
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -11.079
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -227.661806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.661806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.661806 (E_RNA)
where:
Base-Base interactions energy: -146.519
where: short stacking energy: -73.230
Base-Backbone interact. energy: 0.747
local terms energy: -81.890234
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -18.916
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -21.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -189.628212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.628212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.628212 (E_RNA)
where:
Base-Base interactions energy: -121.792
where: short stacking energy: -63.460
Base-Backbone interact. energy: -0.034
local terms energy: -67.801718
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -18.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -223.630494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.630494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.630494 (E_RNA)
where:
Base-Base interactions energy: -144.611
where: short stacking energy: -73.529
Base-Backbone interact. energy: -0.009
local terms energy: -79.009932
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -13.703
tors. eta vs tors. theta energy: -20.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -182.292297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.292297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.292297 (E_RNA)
where:
Base-Base interactions energy: -111.893
where: short stacking energy: -64.116
Base-Backbone interact. energy: -0.008
local terms energy: -70.391405
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -16.333
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: 6
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -150.242082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.242082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.242082 (E_RNA)
where:
Base-Base interactions energy: -96.844
where: short stacking energy: -45.364
Base-Backbone interact. energy: -0.704
local terms energy: -52.693701
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -9.215
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -6.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -158.707818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.707818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.707818 (E_RNA)
where:
Base-Base interactions energy: -95.617
where: short stacking energy: -55.924
Base-Backbone interact. energy: 0.168
local terms energy: -63.259202
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -2.640
tors. eta vs tors. theta energy: -14.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -90.648924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.648924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.648924 (E_RNA)
where:
Base-Base interactions energy: -36.300
where: short stacking energy: -35.938
Base-Backbone interact. energy: -0.147
local terms energy: -54.202295
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -4.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -82.631635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.631635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.631635 (E_RNA)
where:
Base-Base interactions energy: -30.038
where: short stacking energy: -28.489
Base-Backbone interact. energy: -0.047
local terms energy: -52.547299
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -7.282
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -6.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -77.455650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.455650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.455650 (E_RNA)
where:
Base-Base interactions energy: -31.899
where: short stacking energy: -28.853
Base-Backbone interact. energy: -1.441
local terms energy: -44.116189
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -11.664
flat angles C4'-P-C4' energy: -7.856
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -80.917752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.917752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.917752 (E_RNA)
where:
Base-Base interactions energy: -31.234
where: short stacking energy: -26.255
Base-Backbone interact. energy: -1.732
local terms energy: -47.951539
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -10.824
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -7.150
tors. eta vs tors. theta energy: -3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -227.636185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.636185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.636185 (E_RNA)
where:
Base-Base interactions energy: -151.867
where: short stacking energy: -72.820
Base-Backbone interact. energy: -0.009
local terms energy: -75.760290
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -19.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -224.374268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.374268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.374268 (E_RNA)
where:
Base-Base interactions energy: -148.589
where: short stacking energy: -66.815
Base-Backbone interact. energy: 0.460
local terms energy: -76.245662
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -8.700
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: 3, replica: 2
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -186.099119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.099119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.099119 (E_RNA)
where:
Base-Base interactions energy: -116.377
where: short stacking energy: -64.256
Base-Backbone interact. energy: -0.297
local terms energy: -69.425150
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -11.801
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -14.807
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: 6
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -165.420638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.420638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.420638 (E_RNA)
where:
Base-Base interactions energy: -95.394
where: short stacking energy: -43.367
Base-Backbone interact. energy: -0.383
local terms energy: -69.643753
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -13.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -179.232533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.232533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.232533 (E_RNA)
where:
Base-Base interactions energy: -110.248
where: short stacking energy: -54.727
Base-Backbone interact. energy: -0.087
local terms energy: -68.896737
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -9.881
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -21.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -165.230602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.230602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.230602 (E_RNA)
where:
Base-Base interactions energy: -95.288
where: short stacking energy: -56.946
Base-Backbone interact. energy: -0.001
local terms energy: -69.941825
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -15.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -113.246112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.246112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.246112 (E_RNA)
where:
Base-Base interactions energy: -57.327
where: short stacking energy: -40.204
Base-Backbone interact. energy: -0.192
local terms energy: -55.726364
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -10.994
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -9.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -90.933117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.933117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.933117 (E_RNA)
where:
Base-Base interactions energy: -36.511
where: short stacking energy: -32.765
Base-Backbone interact. energy: -0.023
local terms energy: -54.398503
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -6.795
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: 9, replica: 8
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -72.884114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.884114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.884114 (E_RNA)
where:
Base-Base interactions energy: -20.442
where: short stacking energy: -14.262
Base-Backbone interact. energy: -0.525
local terms energy: -51.917506
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -10.392
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -0.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -88.059714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.059714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.059714 (E_RNA)
where:
Base-Base interactions energy: -41.828
where: short stacking energy: -20.299
Base-Backbone interact. energy: 0.384
local terms energy: -46.615582
where:
bonds (distance) C4'-P energy: -7.565
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -11.108
flat angles P-C4'-P energy: -9.593
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: 1, replica: 7
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -223.410232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.410232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.410232 (E_RNA)
where:
Base-Base interactions energy: -144.042
where: short stacking energy: -72.852
Base-Backbone interact. energy: -0.645
local terms energy: -78.723409
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -21.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -232.590792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.590792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.590792 (E_RNA)
where:
Base-Base interactions energy: -152.300
where: short stacking energy: -70.460
Base-Backbone interact. energy: -0.001
local terms energy: -80.289697
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -9.500
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: 3, replica: 6
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -176.281292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.281292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.281292 (E_RNA)
where:
Base-Base interactions energy: -102.790
where: short stacking energy: -61.608
Base-Backbone interact. energy: -0.551
local terms energy: -72.940321
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -17.178
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: 164
Temperature: 1.050000
Total energy: -178.751365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.751365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.751365 (E_RNA)
where:
Base-Base interactions energy: -113.589
where: short stacking energy: -59.648
Base-Backbone interact. energy: -0.002
local terms energy: -65.160418
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -8.830
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -14.526
tors. eta vs tors. theta energy: -15.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -161.061627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.061627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.061627 (E_RNA)
where:
Base-Base interactions energy: -93.140
where: short stacking energy: -54.927
Base-Backbone interact. energy: -0.290
local terms energy: -67.631278
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -12.435
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: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -158.470277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.470277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.470277 (E_RNA)
where:
Base-Base interactions energy: -96.775
where: short stacking energy: -46.844
Base-Backbone interact. energy: -0.097
local terms energy: -61.597740
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -14.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -95.575713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.575713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.575713 (E_RNA)
where:
Base-Base interactions energy: -49.124
where: short stacking energy: -39.028
Base-Backbone interact. energy: -0.097
local terms energy: -46.354761
where:
bonds (distance) C4'-P energy: -10.273
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -4.690
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: 8, replica: 10
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -81.229141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.229141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.229141 (E_RNA)
where:
Base-Base interactions energy: -41.066
where: short stacking energy: -22.100
Base-Backbone interact. energy: -0.376
local terms energy: -39.787793
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -10.095
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -3.317
tors. eta vs tors. theta energy: 0.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -131.852089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.852089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.852089 (E_RNA)
where:
Base-Base interactions energy: -80.974
where: short stacking energy: -31.049
Base-Backbone interact. energy: 2.078
local terms energy: -52.955687
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -10.574
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -4.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -89.251937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.251937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.251937 (E_RNA)
where:
Base-Base interactions energy: -41.632
where: short stacking energy: -26.088
Base-Backbone interact. energy: -0.364
local terms energy: -47.255787
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -9.488
flat angles P-C4'-P energy: -4.986
tors. eta vs tors. theta energy: -5.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -221.017877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.017877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.017877 (E_RNA)
where:
Base-Base interactions energy: -149.409
where: short stacking energy: -73.007
Base-Backbone interact. energy: -0.361
local terms energy: -71.248067
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -22.251
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: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -221.386833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.386833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.386833 (E_RNA)
where:
Base-Base interactions energy: -150.316
where: short stacking energy: -71.006
Base-Backbone interact. energy: -0.004
local terms energy: -71.067160
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -21.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -172.220543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.220543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.220543 (E_RNA)
where:
Base-Base interactions energy: -106.314
where: short stacking energy: -58.961
Base-Backbone interact. energy: 0.748
local terms energy: -66.654815
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -14.403
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: 4
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -175.642081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.642081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.642081 (E_RNA)
where:
Base-Base interactions energy: -107.071
where: short stacking energy: -61.970
Base-Backbone interact. energy: 0.281
local terms energy: -68.852349
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -16.746
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: 2
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -147.609872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.609872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.609872 (E_RNA)
where:
Base-Base interactions energy: -90.847
where: short stacking energy: -54.171
Base-Backbone interact. energy: 1.375
local terms energy: -58.138019
where:
bonds (distance) C4'-P energy: -11.177
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -5.420
tors. eta vs tors. theta energy: -10.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -155.196475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.196475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.196475 (E_RNA)
where:
Base-Base interactions energy: -89.134
where: short stacking energy: -42.592
Base-Backbone interact. energy: -0.306
local terms energy: -65.757118
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -11.990
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -11.059
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: 7, replica: 5
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -96.910810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.910810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.910810 (E_RNA)
where:
Base-Base interactions energy: -41.105
where: short stacking energy: -39.024
Base-Backbone interact. energy: -0.051
local terms energy: -55.754536
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -7.242
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -10.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -127.002795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.002795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.002795 (E_RNA)
where:
Base-Base interactions energy: -71.665
where: short stacking energy: -29.677
Base-Backbone interact. energy: -0.620
local terms energy: -54.716968
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -11.454
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -7.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -79.904115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.904115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.904115 (E_RNA)
where:
Base-Base interactions energy: -22.517
where: short stacking energy: -22.517
Base-Backbone interact. energy: -0.692
local terms energy: -56.695012
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: 0.471
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: 10, replica: 8
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -83.678092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.678092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.678092 (E_RNA)
where:
Base-Base interactions energy: -42.700
where: short stacking energy: -13.804
Base-Backbone interact. energy: -0.286
local terms energy: -40.691704
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -6.032
flat angles C4'-P-C4' energy: -11.495
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: 1.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -225.568796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.568796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.568796 (E_RNA)
where:
Base-Base interactions energy: -146.144
where: short stacking energy: -70.997
Base-Backbone interact. energy: 0.025
local terms energy: -79.449525
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -19.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -220.807449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.807449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.807449 (E_RNA)
where:
Base-Base interactions energy: -148.849
where: short stacking energy: -74.626
Base-Backbone interact. energy: -0.022
local terms energy: -71.936819
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -20.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -198.806207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.806207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.806207 (E_RNA)
where:
Base-Base interactions energy: -119.674
where: short stacking energy: -73.942
Base-Backbone interact. energy: -0.003
local terms energy: -79.128801
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -19.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -178.760932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.760932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.760932 (E_RNA)
where:
Base-Base interactions energy: -104.216
where: short stacking energy: -66.114
Base-Backbone interact. energy: -0.738
local terms energy: -73.806452
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -15.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -160.955312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.955312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.955312 (E_RNA)
where:
Base-Base interactions energy: -91.979
where: short stacking energy: -47.102
Base-Backbone interact. energy: -0.633
local terms energy: -68.343679
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -13.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -140.998342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.998342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.998342 (E_RNA)
where:
Base-Base interactions energy: -81.075
where: short stacking energy: -43.979
Base-Backbone interact. energy: -0.406
local terms energy: -59.517647
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -3.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -102.239869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.239869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.239869 (E_RNA)
where:
Base-Base interactions energy: -50.080
where: short stacking energy: -25.063
Base-Backbone interact. energy: -0.294
local terms energy: -51.865828
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -6.200
tors. eta vs tors. theta energy: 2.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -90.463998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.463998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.463998 (E_RNA)
where:
Base-Base interactions energy: -44.557
where: short stacking energy: -36.798
Base-Backbone interact. energy: -0.379
local terms energy: -45.527564
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -6.056
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -3.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -83.935230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.935230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.935230 (E_RNA)
where:
Base-Base interactions energy: -39.496
where: short stacking energy: -19.564
Base-Backbone interact. energy: -0.106
local terms energy: -44.332986
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: 0.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -81.185960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.185960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.185960 (E_RNA)
where:
Base-Base interactions energy: -32.843
where: short stacking energy: -21.734
Base-Backbone interact. energy: -0.272
local terms energy: -48.071336
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -12.000
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -5.594
tors. eta vs tors. theta energy: -3.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -226.676218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.676218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.676218 (E_RNA)
where:
Base-Base interactions energy: -147.197
where: short stacking energy: -64.398
Base-Backbone interact. energy: -0.259
local terms energy: -79.220043
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -18.166
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: 4
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -191.702133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.702133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.702133 (E_RNA)
where:
Base-Base interactions energy: -118.576
where: short stacking energy: -57.557
Base-Backbone interact. energy: -0.207
local terms energy: -72.918412
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -18.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -211.136071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.136071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.136071 (E_RNA)
where:
Base-Base interactions energy: -140.171
where: short stacking energy: -66.790
Base-Backbone interact. energy: 0.376
local terms energy: -71.340621
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -6.289
tors. eta vs tors. theta energy: -16.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -166.612101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.612101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.612101 (E_RNA)
where:
Base-Base interactions energy: -99.295
where: short stacking energy: -41.237
Base-Backbone interact. energy: -0.121
local terms energy: -67.196062
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -10.941
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: 167
Temperature: 1.100000
Total energy: -161.433056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.433056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.433056 (E_RNA)
where:
Base-Base interactions energy: -102.228
where: short stacking energy: -46.525
Base-Backbone interact. energy: -0.012
local terms energy: -59.192622
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -11.012
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -11.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -153.949977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.949977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.949977 (E_RNA)
where:
Base-Base interactions energy: -96.481
where: short stacking energy: -54.376
Base-Backbone interact. energy: -0.042
local terms energy: -57.427522
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -9.840
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -11.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -91.934872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.934872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.934872 (E_RNA)
where:
Base-Base interactions energy: -51.764
where: short stacking energy: -29.923
Base-Backbone interact. energy: -0.742
local terms energy: -39.428593
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -8.025
flat angles P-C4'-P energy: -6.653
tors. eta vs tors. theta energy: -0.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -84.632963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.632963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.632963 (E_RNA)
where:
Base-Base interactions energy: -38.119
where: short stacking energy: -28.760
Base-Backbone interact. energy: 1.102
local terms energy: -47.615458
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -3.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -93.345659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.345659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.345659 (E_RNA)
where:
Base-Base interactions energy: -35.913
where: short stacking energy: -35.913
Base-Backbone interact. energy: -0.117
local terms energy: -57.315856
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -7.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -83.652894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.652894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.652894 (E_RNA)
where:
Base-Base interactions energy: -27.469
where: short stacking energy: -27.469
Base-Backbone interact. energy: -0.145
local terms energy: -56.039032
where:
bonds (distance) C4'-P energy: -10.185
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -5.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -227.657790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.657790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.657790 (E_RNA)
where:
Base-Base interactions energy: -146.784
where: short stacking energy: -69.072
Base-Backbone interact. energy: -0.036
local terms energy: -80.838521
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -18.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -195.190248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.190248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.190248 (E_RNA)
where:
Base-Base interactions energy: -124.161
where: short stacking energy: -65.491
Base-Backbone interact. energy: -0.651
local terms energy: -70.378282
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -7.352
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: 7
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -216.991942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.991942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.991942 (E_RNA)
where:
Base-Base interactions energy: -144.482
where: short stacking energy: -61.769
Base-Backbone interact. energy: -1.834
local terms energy: -70.676403
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -8.172
tors. eta vs tors. theta energy: -20.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -189.650903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.650903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.650903 (E_RNA)
where:
Base-Base interactions energy: -115.208
where: short stacking energy: -63.513
Base-Backbone interact. energy: -1.470
local terms energy: -72.972875
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -6.806
tors. eta vs tors. theta energy: -18.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -174.467187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.467187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.467187 (E_RNA)
where:
Base-Base interactions energy: -108.631
where: short stacking energy: -61.284
Base-Backbone interact. energy: -0.065
local terms energy: -65.770860
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -10.379
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -16.428
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: 6
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -153.163374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.163374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.163374 (E_RNA)
where:
Base-Base interactions energy: -91.151
where: short stacking energy: -45.585
Base-Backbone interact. energy: -0.904
local terms energy: -61.107597
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -10.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -94.158451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.158451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.158451 (E_RNA)
where:
Base-Base interactions energy: -36.515
where: short stacking energy: -26.261
Base-Backbone interact. energy: -0.169
local terms energy: -57.474751
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -11.860
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -7.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -84.660998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.660998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.660998 (E_RNA)
where:
Base-Base interactions energy: -40.249
where: short stacking energy: -19.872
Base-Backbone interact. energy: 0.056
local terms energy: -44.468198
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: 0.125
tors. eta vs tors. theta energy: 3.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -84.557934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.557934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.557934 (E_RNA)
where:
Base-Base interactions energy: -37.422
where: short stacking energy: -28.870
Base-Backbone interact. energy: -0.143
local terms energy: -46.992352
where:
bonds (distance) C4'-P energy: -9.559
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -5.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -80.705679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.705679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.705679 (E_RNA)
where:
Base-Base interactions energy: -33.827
where: short stacking energy: -29.699
Base-Backbone interact. energy: -0.042
local terms energy: -46.836004
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -8.629
flat angles P-C4'-P energy: -5.894
tors. eta vs tors. theta energy: -6.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -222.198878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.198878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.198878 (E_RNA)
where:
Base-Base interactions energy: -148.478
where: short stacking energy: -72.388
Base-Backbone interact. energy: -0.001
local terms energy: -73.720217
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -18.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -219.513952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.513952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.513952 (E_RNA)
where:
Base-Base interactions energy: -138.311
where: short stacking energy: -56.061
Base-Backbone interact. energy: -0.567
local terms energy: -80.635863
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -13.094
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: 4
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -178.519222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.519222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.519222 (E_RNA)
where:
Base-Base interactions energy: -114.552
where: short stacking energy: -63.519
Base-Backbone interact. energy: -0.523
local terms energy: -63.444447
where:
bonds (distance) C4'-P energy: -8.394
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -14.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -172.474823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.474823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.474823 (E_RNA)
where:
Base-Base interactions energy: -107.929
where: short stacking energy: -52.831
Base-Backbone interact. energy: -0.087
local terms energy: -64.459028
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -14.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -154.935990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.935990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.935990 (E_RNA)
where:
Base-Base interactions energy: -88.401
where: short stacking energy: -45.892
Base-Backbone interact. energy: -0.027
local terms energy: -66.507487
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -13.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -155.597542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.597542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.597542 (E_RNA)
where:
Base-Base interactions energy: -95.190
where: short stacking energy: -48.760
Base-Backbone interact. energy: -0.781
local terms energy: -59.626795
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -9.678
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: 8
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -104.816120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.816120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.816120 (E_RNA)
where:
Base-Base interactions energy: -55.913
where: short stacking energy: -32.335
Base-Backbone interact. energy: -0.117
local terms energy: -48.786319
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -4.050
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: 8, replica: 9
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -89.538521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.538521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.538521 (E_RNA)
where:
Base-Base interactions energy: -35.059
where: short stacking energy: -33.984
Base-Backbone interact. energy: -0.563
local terms energy: -53.916318
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -1.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -89.857559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.857559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.857559 (E_RNA)
where:
Base-Base interactions energy: -39.589
where: short stacking energy: -39.589
Base-Backbone interact. energy: 1.358
local terms energy: -51.626151
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -3.345
tors. eta vs tors. theta energy: -3.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -77.397991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.397991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.397991 (E_RNA)
where:
Base-Base interactions energy: -22.192
where: short stacking energy: -21.786
Base-Backbone interact. energy: -0.115
local terms energy: -55.090617
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -6.641
tors. eta vs tors. theta energy: -0.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -225.672269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.672269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.672269 (E_RNA)
where:
Base-Base interactions energy: -141.731
where: short stacking energy: -65.209
Base-Backbone interact. energy: -1.402
local terms energy: -82.539294
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -22.205
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: 1
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -222.184707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.184707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.184707 (E_RNA)
where:
Base-Base interactions energy: -140.350
where: short stacking energy: -72.499
Base-Backbone interact. energy: -0.001
local terms energy: -81.833254
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -10.461
tors. eta vs tors. theta energy: -23.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -193.296288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.296288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.296288 (E_RNA)
where:
Base-Base interactions energy: -118.205
where: short stacking energy: -60.128
Base-Backbone interact. energy: -0.648
local terms energy: -74.443270
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -19.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -165.479590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.479590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.479590 (E_RNA)
where:
Base-Base interactions energy: -102.079
where: short stacking energy: -55.687
Base-Backbone interact. energy: -0.660
local terms energy: -62.740385
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -7.886
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: 5, replica: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -169.305450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.305450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.305450 (E_RNA)
where:
Base-Base interactions energy: -97.031
where: short stacking energy: -58.555
Base-Backbone interact. energy: 0.304
local terms energy: -72.578106
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -10.189
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -14.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -168.733399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.733399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.733399 (E_RNA)
where:
Base-Base interactions energy: -101.602
where: short stacking energy: -50.987
Base-Backbone interact. energy: -0.282
local terms energy: -66.849716
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -10.166
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: 7, replica: 9
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -107.728500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.728500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.728500 (E_RNA)
where:
Base-Base interactions energy: -47.388
where: short stacking energy: -33.531
Base-Backbone interact. energy: -0.051
local terms energy: -60.289966
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -6.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -88.196268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.196268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.196268 (E_RNA)
where:
Base-Base interactions energy: -36.458
where: short stacking energy: -31.152
Base-Backbone interact. energy: -0.258
local terms energy: -51.480029
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -2.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -82.181307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.181307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.181307 (E_RNA)
where:
Base-Base interactions energy: -38.969
where: short stacking energy: -27.879
Base-Backbone interact. energy: -0.193
local terms energy: -43.020089
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -2.343
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: 10, replica: 10
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -75.949082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.949082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.949082 (E_RNA)
where:
Base-Base interactions energy: -25.494
where: short stacking energy: -25.494
Base-Backbone interact. energy: -0.002
local terms energy: -50.453763
where:
bonds (distance) C4'-P energy: -8.373
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -7.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -223.003836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.003836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.003836 (E_RNA)
where:
Base-Base interactions energy: -144.560
where: short stacking energy: -68.769
Base-Backbone interact. energy: -0.067
local terms energy: -78.376604
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -12.483
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: 2, replica: 1
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -226.345893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.345893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.345893 (E_RNA)
where:
Base-Base interactions energy: -151.260
where: short stacking energy: -74.914
Base-Backbone interact. energy: -0.361
local terms energy: -74.725441
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -23.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -187.656210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.656210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.656210 (E_RNA)
where:
Base-Base interactions energy: -121.364
where: short stacking energy: -57.340
Base-Backbone interact. energy: -0.141
local terms energy: -66.151534
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -3.556
tors. eta vs tors. theta energy: -15.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -189.191343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.191343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.191343 (E_RNA)
where:
Base-Base interactions energy: -115.495
where: short stacking energy: -70.578
Base-Backbone interact. energy: -0.058
local terms energy: -73.638391
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -7.058
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: 5, replica: 6
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -145.797564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.797564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.797564 (E_RNA)
where:
Base-Base interactions energy: -96.788
where: short stacking energy: -42.117
Base-Backbone interact. energy: -0.357
local terms energy: -48.652888
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -10.120
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -5.502
tors. eta vs tors. theta energy: -9.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -100.573915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.573915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.573915 (E_RNA)
where:
Base-Base interactions energy: -48.500
where: short stacking energy: -37.010
Base-Backbone interact. energy: -1.062
local terms energy: -51.011513
where:
bonds (distance) C4'-P energy: -6.962
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -5.121
tors. eta vs tors. theta energy: -8.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -157.777514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.777514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.777514 (E_RNA)
where:
Base-Base interactions energy: -99.064
where: short stacking energy: -47.070
Base-Backbone interact. energy: -0.647
local terms energy: -58.065905
where:
bonds (distance) C4'-P energy: -7.821
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -19.044
flat angles P-C4'-P energy: -6.686
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: 8, replica: 5
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -88.627458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.627458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.627458 (E_RNA)
where:
Base-Base interactions energy: -32.421
where: short stacking energy: -32.421
Base-Backbone interact. energy: 0.529
local terms energy: -56.735010
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -11.789
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: 9, replica: 8
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -88.484729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.484729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.484729 (E_RNA)
where:
Base-Base interactions energy: -32.352
where: short stacking energy: -32.352
Base-Backbone interact. energy: -0.013
local terms energy: -56.120064
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -7.583
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -6.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -96.494673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.494673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.494673 (E_RNA)
where:
Base-Base interactions energy: -37.182
where: short stacking energy: -37.182
Base-Backbone interact. energy: -0.140
local terms energy: -59.172388
where:
bonds (distance) C4'-P energy: -8.109
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -13.965
tors. eta vs tors. theta energy: -9.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -234.445153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.445153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.445153 (E_RNA)
where:
Base-Base interactions energy: -152.419
where: short stacking energy: -75.724
Base-Backbone interact. energy: -0.003
local terms energy: -82.022721
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -23.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -225.296697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.296697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.296697 (E_RNA)
where:
Base-Base interactions energy: -146.737
where: short stacking energy: -64.652
Base-Backbone interact. energy: -0.058
local terms energy: -78.502161
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -11.727
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: 3, replica: 4
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -187.716981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.716981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.716981 (E_RNA)
where:
Base-Base interactions energy: -124.185
where: short stacking energy: -74.889
Base-Backbone interact. energy: -0.003
local terms energy: -63.528538
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -10.670
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -17.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -176.407352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.407352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.407352 (E_RNA)
where:
Base-Base interactions energy: -113.515
where: short stacking energy: -52.960
Base-Backbone interact. energy: -0.003
local terms energy: -62.888950
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -13.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -162.227718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.227718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.227718 (E_RNA)
where:
Base-Base interactions energy: -101.157
where: short stacking energy: -43.157
Base-Backbone interact. energy: -0.256
local terms energy: -60.814446
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -15.525
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -4.377
tors. eta vs tors. theta energy: -14.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -97.648296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.648296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.648296 (E_RNA)
where:
Base-Base interactions energy: -37.315
where: short stacking energy: -37.315
Base-Backbone interact. energy: -0.007
local terms energy: -60.326580
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -6.619
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: 3
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -152.959854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.959854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.959854 (E_RNA)
where:
Base-Base interactions energy: -96.269
where: short stacking energy: -47.535
Base-Backbone interact. energy: -0.112
local terms energy: -56.578445
where:
bonds (distance) C4'-P energy: -9.309
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -11.393
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: 5
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -87.354344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.354344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.354344 (E_RNA)
where:
Base-Base interactions energy: -30.977
where: short stacking energy: -30.977
Base-Backbone interact. energy: -0.045
local terms energy: -56.331392
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -8.879
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -6.493
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: 172
Temperature: 1.300000
Total energy: -81.985291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.985291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.985291 (E_RNA)
where:
Base-Base interactions energy: -25.365
where: short stacking energy: -25.063
Base-Backbone interact. energy: -0.004
local terms energy: -56.616187
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -81.631211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.631211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.631211 (E_RNA)
where:
Base-Base interactions energy: -27.308
where: short stacking energy: -27.308
Base-Backbone interact. energy: -0.052
local terms energy: -54.270583
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -8.311
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -4.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -225.153485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.153485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.153485 (E_RNA)
where:
Base-Base interactions energy: -143.835
where: short stacking energy: -70.524
Base-Backbone interact. energy: -0.040
local terms energy: -81.279189
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -17.658
flat angles C4'-P-C4' energy: -18.134
flat angles P-C4'-P energy: -11.210
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: 7
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -220.784084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.784084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.784084 (E_RNA)
where:
Base-Base interactions energy: -145.212
where: short stacking energy: -63.371
Base-Backbone interact. energy: -0.028
local terms energy: -75.544256
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -18.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -185.965849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.965849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.965849 (E_RNA)
where:
Base-Base interactions energy: -108.539
where: short stacking energy: -60.817
Base-Backbone interact. energy: -0.167
local terms energy: -77.260071
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -19.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -190.179774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.179774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.179774 (E_RNA)
where:
Base-Base interactions energy: -112.569
where: short stacking energy: -51.945
Base-Backbone interact. energy: -0.460
local terms energy: -77.150421
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -12.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -157.106856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.106856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.106856 (E_RNA)
where:
Base-Base interactions energy: -96.827
where: short stacking energy: -47.203
Base-Backbone interact. energy: -0.044
local terms energy: -60.236618
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -11.988
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: 9
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -99.632428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.632428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.632428 (E_RNA)
where:
Base-Base interactions energy: -40.102
where: short stacking energy: -40.102
Base-Backbone interact. energy: -0.044
local terms energy: -59.486663
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -6.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -89.096879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.096879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.096879 (E_RNA)
where:
Base-Base interactions energy: -37.317
where: short stacking energy: -36.077
Base-Backbone interact. energy: -0.449
local terms energy: -51.331179
where:
bonds (distance) C4'-P energy: -9.657
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -6.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -93.822229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.822229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.822229 (E_RNA)
where:
Base-Base interactions energy: -40.164
where: short stacking energy: -37.185
Base-Backbone interact. energy: -0.098
local terms energy: -53.559663
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -7.220
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: 5
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -79.323512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.323512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.323512 (E_RNA)
where:
Base-Base interactions energy: -30.786
where: short stacking energy: -24.190
Base-Backbone interact. energy: 1.312
local terms energy: -49.850018
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -11.230
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -2.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -68.652825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.652825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.652825 (E_RNA)
where:
Base-Base interactions energy: -22.578
where: short stacking energy: -21.182
Base-Backbone interact. energy: -0.316
local terms energy: -45.759155
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -5.147
tors. eta vs tors. theta energy: 1.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -228.620749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.620749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.620749 (E_RNA)
where:
Base-Base interactions energy: -148.392
where: short stacking energy: -76.074
Base-Backbone interact. energy: -0.010
local terms energy: -80.218737
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -14.235
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: 2, replica: 7
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -221.324932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.324932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.324932 (E_RNA)
where:
Base-Base interactions energy: -146.878
where: short stacking energy: -65.499
Base-Backbone interact. energy: -1.384
local terms energy: -73.063160
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -18.686
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: 3, replica: 2
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -191.978258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.978258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.978258 (E_RNA)
where:
Base-Base interactions energy: -120.514
where: short stacking energy: -60.523
Base-Backbone interact. energy: -0.852
local terms energy: -70.612809
where:
bonds (distance) C4'-P energy: -15.022
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -11.878
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: 4, replica: 4
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -187.949399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.949399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.949399 (E_RNA)
where:
Base-Base interactions energy: -112.309
where: short stacking energy: -61.190
Base-Backbone interact. energy: -0.645
local terms energy: -74.994799
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -17.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -178.683521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.683521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.683521 (E_RNA)
where:
Base-Base interactions energy: -104.051
where: short stacking energy: -60.288
Base-Backbone interact. energy: -0.034
local terms energy: -74.598192
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -17.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -99.000649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.000649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.000649 (E_RNA)
where:
Base-Base interactions energy: -47.242
where: short stacking energy: -37.470
Base-Backbone interact. energy: 1.758
local terms energy: -53.516558
where:
bonds (distance) C4'-P energy: -6.502
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -9.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -95.268949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.268949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.268949 (E_RNA)
where:
Base-Base interactions energy: -47.440
where: short stacking energy: -29.786
Base-Backbone interact. energy: -1.169
local terms energy: -46.659919
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -0.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -89.695934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.695934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.695934 (E_RNA)
where:
Base-Base interactions energy: -39.430
where: short stacking energy: -39.430
Base-Backbone interact. energy: -0.187
local terms energy: -50.079639
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -3.942
tors. eta vs tors. theta energy: -5.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -83.699239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.699239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.699239 (E_RNA)
where:
Base-Base interactions energy: -27.462
where: short stacking energy: -18.136
Base-Backbone interact. energy: 0.414
local terms energy: -56.651039
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -16.127
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -2.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -76.668181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.668181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.668181 (E_RNA)
where:
Base-Base interactions energy: -27.249
where: short stacking energy: -26.388
Base-Backbone interact. energy: -0.079
local terms energy: -49.339697
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -10.973
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -2.638
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: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -230.319106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.319106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.319106 (E_RNA)
where:
Base-Base interactions energy: -151.762
where: short stacking energy: -69.769
Base-Backbone interact. energy: -0.002
local terms energy: -78.555026
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -20.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -193.315575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.315575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.315575 (E_RNA)
where:
Base-Base interactions energy: -121.338
where: short stacking energy: -56.379
Base-Backbone interact. energy: -0.742
local terms energy: -71.235702
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -11.389
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: -16.547
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: 3, replica: 7
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -219.427206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.427206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.427206 (E_RNA)
where:
Base-Base interactions energy: -148.898
where: short stacking energy: -74.638
Base-Backbone interact. energy: 0.244
local terms energy: -70.772796
where:
bonds (distance) C4'-P energy: -9.972
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -12.760
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: 4
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -179.584266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.584266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.584266 (E_RNA)
where:
Base-Base interactions energy: -109.829
where: short stacking energy: -57.586
Base-Backbone interact. energy: -0.094
local terms energy: -69.661311
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -14.746
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: 6
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -161.588743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.588743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.588743 (E_RNA)
where:
Base-Base interactions energy: -104.239
where: short stacking energy: -56.099
Base-Backbone interact. energy: -1.351
local terms energy: -55.998987
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -5.676
tors. eta vs tors. theta energy: -8.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -90.751611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.751611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.751611 (E_RNA)
where:
Base-Base interactions energy: -38.811
where: short stacking energy: -38.811
Base-Backbone interact. energy: -0.038
local terms energy: -51.902291
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -2.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -110.396900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.396900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.396900 (E_RNA)
where:
Base-Base interactions energy: -55.408
where: short stacking energy: -28.273
Base-Backbone interact. energy: -0.005
local terms energy: -54.984551
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -7.520
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: 8, replica: 8
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -92.982540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.982540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.982540 (E_RNA)
where:
Base-Base interactions energy: -31.018
where: short stacking energy: -31.018
Base-Backbone interact. energy: -0.569
local terms energy: -61.395218
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -8.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -78.208672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.208672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.208672 (E_RNA)
where:
Base-Base interactions energy: -26.669
where: short stacking energy: -23.064
Base-Backbone interact. energy: -0.213
local terms energy: -51.326365
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -9.060
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: 10, replica: 5
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -74.974422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.974422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.974422 (E_RNA)
where:
Base-Base interactions energy: -28.244
where: short stacking energy: -27.511
Base-Backbone interact. energy: -0.147
local terms energy: -46.582578
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -1.091
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: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -224.289733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.289733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.289733 (E_RNA)
where:
Base-Base interactions energy: -144.106
where: short stacking energy: -60.577
Base-Backbone interact. energy: -1.219
local terms energy: -78.964392
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -18.030
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: 2
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -192.935361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.935361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.935361 (E_RNA)
where:
Base-Base interactions energy: -118.530
where: short stacking energy: -56.303
Base-Backbone interact. energy: -0.195
local terms energy: -74.209957
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -13.718
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: 7
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -223.931327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.931327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.931327 (E_RNA)
where:
Base-Base interactions energy: -147.782
where: short stacking energy: -75.599
Base-Backbone interact. energy: -0.109
local terms energy: -76.040140
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -20.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -168.790703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.790703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.790703 (E_RNA)
where:
Base-Base interactions energy: -107.686
where: short stacking energy: -57.796
Base-Backbone interact. energy: -0.912
local terms energy: -60.192430
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -9.463
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -12.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -168.920007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.920007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.920007 (E_RNA)
where:
Base-Base interactions energy: -97.480
where: short stacking energy: -46.394
Base-Backbone interact. energy: -0.715
local terms energy: -70.725141
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -16.037
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: 10
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -89.074358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.074358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.074358 (E_RNA)
where:
Base-Base interactions energy: -35.446
where: short stacking energy: -35.946
Base-Backbone interact. energy: -0.793
local terms energy: -52.835140
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -11.354
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -5.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -90.198858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.198858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.198858 (E_RNA)
where:
Base-Base interactions energy: -51.859
where: short stacking energy: -30.730
Base-Backbone interact. energy: -0.067
local terms energy: -38.272626
where:
bonds (distance) C4'-P energy: -9.409
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -5.978
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -1.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -81.856443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.856443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.856443 (E_RNA)
where:
Base-Base interactions energy: -40.501
where: short stacking energy: -28.249
Base-Backbone interact. energy: 0.783
local terms energy: -42.137746
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -6.700
flat angles C4'-P-C4' energy: -10.023
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -1.374
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: 9, replica: 5
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -91.708025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.708025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.708025 (E_RNA)
where:
Base-Base interactions energy: -39.118
where: short stacking energy: -34.190
Base-Backbone interact. energy: -0.077
local terms energy: -52.512400
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -16.832
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -5.234
tors. eta vs tors. theta energy: -5.251
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: 3
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -79.769989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.769989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.769989 (E_RNA)
where:
Base-Base interactions energy: -28.901
where: short stacking energy: -24.423
Base-Backbone interact. energy: 0.241
local terms energy: -51.110040
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -8.471
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: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -229.192186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.192186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.192186 (E_RNA)
where:
Base-Base interactions energy: -152.491
where: short stacking energy: -65.083
Base-Backbone interact. energy: -1.494
local terms energy: -75.206638
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -11.731
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: 2, replica: 7
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -219.148741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.148741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.148741 (E_RNA)
where:
Base-Base interactions energy: -142.430
where: short stacking energy: -63.507
Base-Backbone interact. energy: -0.019
local terms energy: -76.699772
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -12.992
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: 3, replica: 2
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -197.463144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.463144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.463144 (E_RNA)
where:
Base-Base interactions energy: -123.938
where: short stacking energy: -61.131
Base-Backbone interact. energy: -1.686
local terms energy: -71.838713
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -15.220
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: 6
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -175.698613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.698613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.698613 (E_RNA)
where:
Base-Base interactions energy: -106.292
where: short stacking energy: -53.221
Base-Backbone interact. energy: -1.580
local terms energy: -67.826302
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -12.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -150.825112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.825112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.825112 (E_RNA)
where:
Base-Base interactions energy: -95.829
where: short stacking energy: -46.324
Base-Backbone interact. energy: 0.020
local terms energy: -55.015793
where:
bonds (distance) C4'-P energy: -8.588
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -7.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -145.679103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.679103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.679103 (E_RNA)
where:
Base-Base interactions energy: -91.325
where: short stacking energy: -38.579
Base-Backbone interact. energy: 2.292
local terms energy: -56.646547
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -7.280
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: 177
Temperature: 1.200000
Total energy: -85.177279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.177279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.177279 (E_RNA)
where:
Base-Base interactions energy: -35.288
where: short stacking energy: -24.317
Base-Backbone interact. energy: -0.465
local terms energy: -49.423959
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: 1.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -80.472483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.472483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.472483 (E_RNA)
where:
Base-Base interactions energy: -29.034
where: short stacking energy: -27.879
Base-Backbone interact. energy: -0.102
local terms energy: -51.336537
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -0.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -86.460719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.460719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.460719 (E_RNA)
where:
Base-Base interactions energy: -38.508
where: short stacking energy: -22.351
Base-Backbone interact. energy: -0.471
local terms energy: -47.481536
where:
bonds (distance) C4'-P energy: -9.111
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -1.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -78.590809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.590809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.590809 (E_RNA)
where:
Base-Base interactions energy: -30.622
where: short stacking energy: -20.174
Base-Backbone interact. energy: 0.225
local terms energy: -48.194017
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -3.806
tors. eta vs tors. theta energy: -1.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -223.550048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.550048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.550048 (E_RNA)
where:
Base-Base interactions energy: -143.237
where: short stacking energy: -70.718
Base-Backbone interact. energy: -0.707
local terms energy: -79.605997
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -21.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -211.765860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.765860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.765860 (E_RNA)
where:
Base-Base interactions energy: -139.901
where: short stacking energy: -58.749
Base-Backbone interact. energy: -1.896
local terms energy: -69.969226
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -18.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -192.033129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.033129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.033129 (E_RNA)
where:
Base-Base interactions energy: -121.809
where: short stacking energy: -68.362
Base-Backbone interact. energy: -0.038
local terms energy: -70.186618
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -16.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -171.698626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.698626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.698626 (E_RNA)
where:
Base-Base interactions energy: -99.287
where: short stacking energy: -56.727
Base-Backbone interact. energy: -0.157
local terms energy: -72.254463
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -12.801
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: 4
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -171.006042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.006042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.006042 (E_RNA)
where:
Base-Base interactions energy: -97.786
where: short stacking energy: -52.675
Base-Backbone interact. energy: -0.663
local terms energy: -72.556554
where:
bonds (distance) C4'-P energy: -12.982
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -13.899
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: 6, replica: 8
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -138.524462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.524462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.524462 (E_RNA)
where:
Base-Base interactions energy: -84.438
where: short stacking energy: -51.261
Base-Backbone interact. energy: 0.938
local terms energy: -55.024537
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -9.415
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -12.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -97.863243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.863243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.863243 (E_RNA)
where:
Base-Base interactions energy: -44.808
where: short stacking energy: -39.889
Base-Backbone interact. energy: -0.190
local terms energy: -52.864608
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -9.734
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -5.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -82.279983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.279983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.279983 (E_RNA)
where:
Base-Base interactions energy: -27.915
where: short stacking energy: -27.915
Base-Backbone interact. energy: -0.091
local terms energy: -54.273383
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -11.641
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -4.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -109.831904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.831904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.831904 (E_RNA)
where:
Base-Base interactions energy: -62.672
where: short stacking energy: -32.156
Base-Backbone interact. energy: -0.321
local terms energy: -46.838559
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -8.634
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -8.864
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: 178
Temperature: 1.350000
Total energy: -81.873944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.873944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.873944 (E_RNA)
where:
Base-Base interactions energy: -33.074
where: short stacking energy: -32.470
Base-Backbone interact. energy: -0.303
local terms energy: -48.496330
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -3.967
tors. eta vs tors. theta energy: -5.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -225.503141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.503141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.503141 (E_RNA)
where:
Base-Base interactions energy: -151.050
where: short stacking energy: -66.580
Base-Backbone interact. energy: -0.183
local terms energy: -74.270283
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -21.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -197.068335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.068335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.068335 (E_RNA)
where:
Base-Base interactions energy: -120.679
where: short stacking energy: -67.642
Base-Backbone interact. energy: -0.017
local terms energy: -76.372422
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -14.234
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: 179
Temperature: 1.000000
Total energy: -207.741211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.741211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.741211 (E_RNA)
where:
Base-Base interactions energy: -134.877
where: short stacking energy: -58.538
Base-Backbone interact. energy: -0.019
local terms energy: -72.844285
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -12.317
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: 4, replica: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -195.044061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.044061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.044061 (E_RNA)
where:
Base-Base interactions energy: -119.254
where: short stacking energy: -63.546
Base-Backbone interact. energy: -0.238
local terms energy: -75.552515
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -14.396
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: 5, replica: 4
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -163.727843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.727843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.727843 (E_RNA)
where:
Base-Base interactions energy: -100.969
where: short stacking energy: -45.819
Base-Backbone interact. energy: -0.779
local terms energy: -61.979951
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -8.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -153.713726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.713726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.713726 (E_RNA)
where:
Base-Base interactions energy: -97.349
where: short stacking energy: -37.312
Base-Backbone interact. energy: -0.074
local terms energy: -56.290866
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -5.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -99.168218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.168218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.168218 (E_RNA)
where:
Base-Base interactions energy: -38.701
where: short stacking energy: -38.701
Base-Backbone interact. energy: 0.739
local terms energy: -61.206064
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -7.917
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -12.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -129.947104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.947104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.947104 (E_RNA)
where:
Base-Base interactions energy: -76.325
where: short stacking energy: -46.449
Base-Backbone interact. energy: 0.978
local terms energy: -54.600687
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -6.121
tors. eta vs tors. theta energy: -8.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -84.963450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.963450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.963450 (E_RNA)
where:
Base-Base interactions energy: -30.505
where: short stacking energy: -24.225
Base-Backbone interact. energy: -0.101
local terms energy: -54.356779
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -14.369
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -5.773
tors. eta vs tors. theta energy: -6.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -78.043820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.043820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.043820 (E_RNA)
where:
Base-Base interactions energy: -32.064
where: short stacking energy: -32.064
Base-Backbone interact. energy: -0.124
local terms energy: -45.855635
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: -5.746
tors. eta vs tors. theta energy: -5.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -219.494535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.494535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.494535 (E_RNA)
where:
Base-Base interactions energy: -142.747
where: short stacking energy: -70.711
Base-Backbone interact. energy: -0.081
local terms energy: -76.666904
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -20.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -194.132105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.132105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.132105 (E_RNA)
where:
Base-Base interactions energy: -122.781
where: short stacking energy: -64.204
Base-Backbone interact. energy: 0.293
local terms energy: -71.644256
where:
bonds (distance) C4'-P energy: -11.964
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -10.366
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: 3, replica: 7
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -208.036766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.036766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.036766 (E_RNA)
where:
Base-Base interactions energy: -132.930
where: short stacking energy: -59.401
Base-Backbone interact. energy: -0.370
local terms energy: -74.737294
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -18.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -166.775600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.775600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.775600 (E_RNA)
where:
Base-Base interactions energy: -103.494
where: short stacking energy: -46.650
Base-Backbone interact. energy: -0.098
local terms energy: -63.183726
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -10.693
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -13.697
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: 4
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -157.146216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.146216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.146216 (E_RNA)
where:
Base-Base interactions energy: -98.778
where: short stacking energy: -47.219
Base-Backbone interact. energy: -0.148
local terms energy: -58.220254
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -12.646
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: 6, replica: 8
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -169.016926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.016926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.016926 (E_RNA)
where:
Base-Base interactions energy: -102.185
where: short stacking energy: -55.333
Base-Backbone interact. energy: -0.078
local terms energy: -66.753075
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -16.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -120.356841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.356841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.356841 (E_RNA)
where:
Base-Base interactions energy: -69.984
where: short stacking energy: -32.787
Base-Backbone interact. energy: -0.255
local terms energy: -50.117744
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -10.612
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -3.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -91.296144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.296144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.296144 (E_RNA)
where:
Base-Base interactions energy: -34.888
where: short stacking energy: -29.478
Base-Backbone interact. energy: -0.226
local terms energy: -56.181725
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -6.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -82.335542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.335542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.335542 (E_RNA)
where:
Base-Base interactions energy: -38.170
where: short stacking energy: -23.978
Base-Backbone interact. energy: -0.155
local terms energy: -44.010546
where:
bonds (distance) C4'-P energy: -10.978
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -4.900
tors. eta vs tors. theta energy: 1.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -72.386309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.386309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.386309 (E_RNA)
where:
Base-Base interactions energy: -21.024
where: short stacking energy: -15.611
Base-Backbone interact. energy: -0.041
local terms energy: -51.321304
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: 0.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -228.746878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.746878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.746878 (E_RNA)
where:
Base-Base interactions energy: -151.590
where: short stacking energy: -67.791
Base-Backbone interact. energy: -0.073
local terms energy: -77.084049
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -19.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -230.583808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.583808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.583808 (E_RNA)
where:
Base-Base interactions energy: -149.947
where: short stacking energy: -74.219
Base-Backbone interact. energy: -0.000
local terms energy: -80.636832
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -23.056
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: 2
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -176.336578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.336578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.336578 (E_RNA)
where:
Base-Base interactions energy: -105.318
where: short stacking energy: -60.641
Base-Backbone interact. energy: -1.053
local terms energy: -69.966124
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -14.788
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: 181
Temperature: 1.050000
Total energy: -170.282468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.282468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.282468 (E_RNA)
where:
Base-Base interactions energy: -104.272
where: short stacking energy: -51.849
Base-Backbone interact. energy: -0.175
local terms energy: -65.835835
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -11.935
flat angles P-C4'-P energy: -11.749
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: 5, replica: 6
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -173.329218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.329218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.329218 (E_RNA)
where:
Base-Base interactions energy: -102.207
where: short stacking energy: -58.430
Base-Backbone interact. energy: -0.269
local terms energy: -70.853516
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -17.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -158.809055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.809055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.809055 (E_RNA)
where:
Base-Base interactions energy: -92.091
where: short stacking energy: -50.243
Base-Backbone interact. energy: -0.590
local terms energy: -66.127944
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -12.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -142.534946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.534946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.534946 (E_RNA)
where:
Base-Base interactions energy: -83.351
where: short stacking energy: -39.929
Base-Backbone interact. energy: -0.412
local terms energy: -58.772063
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -5.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -105.224939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.224939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.224939 (E_RNA)
where:
Base-Base interactions energy: -52.623
where: short stacking energy: -32.539
Base-Backbone interact. energy: -0.252
local terms energy: -52.349825
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -9.385
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -7.123
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: 5
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -84.040796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.040796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.040796 (E_RNA)
where:
Base-Base interactions energy: -38.497
where: short stacking energy: -24.402
Base-Backbone interact. energy: 0.906
local terms energy: -46.449924
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: 0.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -83.524222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.524222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.524222 (E_RNA)
where:
Base-Base interactions energy: -36.622
where: short stacking energy: -20.853
Base-Backbone interact. energy: -0.471
local terms energy: -46.432081
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -5.924
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: 1, replica: 7
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -227.181133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.181133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.181133 (E_RNA)
where:
Base-Base interactions energy: -152.798
where: short stacking energy: -77.169
Base-Backbone interact. energy: -0.000
local terms energy: -74.383294
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -21.571
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: 1
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -227.910615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.910615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.910615 (E_RNA)
where:
Base-Base interactions energy: -150.627
where: short stacking energy: -69.769
Base-Backbone interact. energy: -0.080
local terms energy: -77.203407
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -23.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -183.560806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.560806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.560806 (E_RNA)
where:
Base-Base interactions energy: -116.168
where: short stacking energy: -56.000
Base-Backbone interact. energy: -0.341
local terms energy: -67.051863
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -14.506
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: 4, replica: 4
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -179.154639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.154639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.154639 (E_RNA)
where:
Base-Base interactions energy: -114.420
where: short stacking energy: -58.653
Base-Backbone interact. energy: -0.084
local terms energy: -64.650679
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -2.385
tors. eta vs tors. theta energy: -17.534
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: 8
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -181.754076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.754076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.754076 (E_RNA)
where:
Base-Base interactions energy: -124.040
where: short stacking energy: -50.410
Base-Backbone interact. energy: 0.047
local terms energy: -57.761268
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -11.139
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -10.680
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: 6
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -172.101871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.101871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.101871 (E_RNA)
where:
Base-Base interactions energy: -101.989
where: short stacking energy: -58.010
Base-Backbone interact. energy: -0.011
local terms energy: -70.102131
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -14.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -139.804274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.804274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.804274 (E_RNA)
where:
Base-Base interactions energy: -81.276
where: short stacking energy: -43.393
Base-Backbone interact. energy: -0.023
local terms energy: -58.505438
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -10.516
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -10.949
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: 182
Temperature: 1.250000
Total energy: -118.820201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.820201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.820201 (E_RNA)
where:
Base-Base interactions energy: -66.622
where: short stacking energy: -32.132
Base-Backbone interact. energy: -0.515
local terms energy: -51.683343
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -13.288
flat angles C4'-P-C4' energy: -8.902
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: 0.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -78.227281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.227281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.227281 (E_RNA)
where:
Base-Base interactions energy: -32.889
where: short stacking energy: -22.623
Base-Backbone interact. energy: -0.180
local terms energy: -45.158294
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -11.120
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -0.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -77.729279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.729279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.729279 (E_RNA)
where:
Base-Base interactions energy: -32.917
where: short stacking energy: -32.843
Base-Backbone interact. energy: -0.365
local terms energy: -44.446769
where:
bonds (distance) C4'-P energy: -7.315
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -6.703
tors. eta vs tors. theta energy: -3.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -222.471413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.471413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.471413 (E_RNA)
where:
Base-Base interactions energy: -145.478
where: short stacking energy: -64.819
Base-Backbone interact. energy: -0.011
local terms energy: -76.982304
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -15.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -221.106589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.106589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.106589 (E_RNA)
where:
Base-Base interactions energy: -145.276
where: short stacking energy: -68.531
Base-Backbone interact. energy: -0.107
local terms energy: -75.722839
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -22.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -169.982209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.982209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.982209 (E_RNA)
where:
Base-Base interactions energy: -102.614
where: short stacking energy: -50.087
Base-Backbone interact. energy: -0.287
local terms energy: -67.080818
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -15.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -168.037111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.037111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.037111 (E_RNA)
where:
Base-Base interactions energy: -110.495
where: short stacking energy: -51.460
Base-Backbone interact. energy: -4.075
local terms energy: -53.466938
where:
bonds (distance) C4'-P energy: -9.272
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -10.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -162.018024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.018024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.018024 (E_RNA)
where:
Base-Base interactions energy: -104.957
where: short stacking energy: -42.091
Base-Backbone interact. energy: -0.910
local terms energy: -56.150487
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -7.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -145.585302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.585302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.585302 (E_RNA)
where:
Base-Base interactions energy: -81.198
where: short stacking energy: -44.531
Base-Backbone interact. energy: -1.027
local terms energy: -63.359897
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -11.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -125.487528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.487528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.487528 (E_RNA)
where:
Base-Base interactions energy: -73.329
where: short stacking energy: -33.432
Base-Backbone interact. energy: -0.160
local terms energy: -51.998723
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -8.811
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -2.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -109.785968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.785968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.785968 (E_RNA)
where:
Base-Base interactions energy: -63.389
where: short stacking energy: -33.436
Base-Backbone interact. energy: -0.177
local terms energy: -46.220310
where:
bonds (distance) C4'-P energy: -8.867
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -2.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -85.186483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.186483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.186483 (E_RNA)
where:
Base-Base interactions energy: -34.263
where: short stacking energy: -29.428
Base-Backbone interact. energy: 0.043
local terms energy: -50.966416
where:
bonds (distance) C4'-P energy: -8.589
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -1.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -109.350032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.350032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.350032 (E_RNA)
where:
Base-Base interactions energy: -55.032
where: short stacking energy: -29.642
Base-Backbone interact. energy: -0.077
local terms energy: -54.240971
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -5.263
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: 1
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -223.946571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.946571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.946571 (E_RNA)
where:
Base-Base interactions energy: -146.970
where: short stacking energy: -66.167
Base-Backbone interact. energy: -0.674
local terms energy: -76.301876
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -19.115
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: 184
Temperature: 0.950000
Total energy: -213.028937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.028937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.028937 (E_RNA)
where:
Base-Base interactions energy: -140.357
where: short stacking energy: -60.228
Base-Backbone interact. energy: -0.030
local terms energy: -72.641359
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -16.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -155.605283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.605283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.605283 (E_RNA)
where:
Base-Base interactions energy: -81.052
where: short stacking energy: -48.616
Base-Backbone interact. energy: -0.127
local terms energy: -74.427054
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -12.874
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: 2
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -160.600977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.600977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.600977 (E_RNA)
where:
Base-Base interactions energy: -98.055
where: short stacking energy: -49.201
Base-Backbone interact. energy: -0.679
local terms energy: -61.867637
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -9.999
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -9.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -158.922743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.922743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.922743 (E_RNA)
where:
Base-Base interactions energy: -91.498
where: short stacking energy: -40.771
Base-Backbone interact. energy: -0.033
local terms energy: -67.392176
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -10.161
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: 6, replica: 4
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -140.655449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.655449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.655449 (E_RNA)
where:
Base-Base interactions energy: -92.484
where: short stacking energy: -40.646
Base-Backbone interact. energy: -0.175
local terms energy: -47.996572
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -2.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -138.124099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.124099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.124099 (E_RNA)
where:
Base-Base interactions energy: -79.475
where: short stacking energy: -38.341
Base-Backbone interact. energy: -0.013
local terms energy: -58.636673
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -8.290
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: 184
Temperature: 1.250000
Total energy: -95.534751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.534751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.534751 (E_RNA)
where:
Base-Base interactions energy: -39.086
where: short stacking energy: -28.524
Base-Backbone interact. energy: -1.911
local terms energy: -54.537132
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -5.882
tors. eta vs tors. theta energy: -5.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -83.432322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.432322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.432322 (E_RNA)
where:
Base-Base interactions energy: -33.592
where: short stacking energy: -31.558
Base-Backbone interact. energy: -0.021
local terms energy: -49.819775
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -3.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -85.002621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.002621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.002621 (E_RNA)
where:
Base-Base interactions energy: -44.976
where: short stacking energy: -27.821
Base-Backbone interact. energy: -0.140
local terms energy: -39.885764
where:
bonds (distance) C4'-P energy: -8.506
bonds (distance) P-C4' energy: -9.843
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -6.985
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: 1
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -226.521022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.521022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.521022 (E_RNA)
where:
Base-Base interactions energy: -152.025
where: short stacking energy: -68.976
Base-Backbone interact. energy: 0.093
local terms energy: -74.588545
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -20.587
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: 2, replica: 7
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -222.497806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.497806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.497806 (E_RNA)
where:
Base-Base interactions energy: -143.892
where: short stacking energy: -71.923
Base-Backbone interact. energy: -0.273
local terms energy: -78.333265
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -21.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -167.990803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.990803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.990803 (E_RNA)
where:
Base-Base interactions energy: -102.709
where: short stacking energy: -43.808
Base-Backbone interact. energy: -0.474
local terms energy: -64.807426
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -13.525
tors. eta vs tors. theta energy: -5.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -168.281865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.281865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.281865 (E_RNA)
where:
Base-Base interactions energy: -100.489
where: short stacking energy: -55.394
Base-Backbone interact. energy: -1.106
local terms energy: -66.687730
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -9.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -167.926485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.926485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.926485 (E_RNA)
where:
Base-Base interactions energy: -104.375
where: short stacking energy: -37.716
Base-Backbone interact. energy: -1.282
local terms energy: -62.269659
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -4.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -155.264464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.264464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.264464 (E_RNA)
where:
Base-Base interactions energy: -95.327
where: short stacking energy: -51.609
Base-Backbone interact. energy: 1.037
local terms energy: -60.974603
where:
bonds (distance) C4'-P energy: -9.150
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -12.507
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: 4
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -152.830154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.830154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.830154 (E_RNA)
where:
Base-Base interactions energy: -93.339
where: short stacking energy: -43.028
Base-Backbone interact. energy: -0.232
local terms energy: -59.259158
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -9.072
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: 185
Temperature: 1.250000
Total energy: -84.133809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.133809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.133809 (E_RNA)
where:
Base-Base interactions energy: -35.726
where: short stacking energy: -34.631
Base-Backbone interact. energy: -0.132
local terms energy: -48.276038
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -8.913
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -3.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -97.445379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.445379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.445379 (E_RNA)
where:
Base-Base interactions energy: -51.971
where: short stacking energy: -34.908
Base-Backbone interact. energy: -0.820
local terms energy: -44.654198
where:
bonds (distance) C4'-P energy: -10.241
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -8.973
flat angles P-C4'-P energy: -9.174
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: 5
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -73.438269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.438269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.438269 (E_RNA)
where:
Base-Base interactions energy: -22.479
where: short stacking energy: -22.479
Base-Backbone interact. energy: -0.025
local terms energy: -50.934213
where:
bonds (distance) C4'-P energy: -6.087
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -10.187
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: 1, replica: 1
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -221.368035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.368035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.368035 (E_RNA)
where:
Base-Base interactions energy: -142.961
where: short stacking energy: -62.241
Base-Backbone interact. energy: -0.535
local terms energy: -77.872244
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -20.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -221.404437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.404437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.404437 (E_RNA)
where:
Base-Base interactions energy: -146.914
where: short stacking energy: -69.374
Base-Backbone interact. energy: -1.200
local terms energy: -73.289569
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -18.679
flat angles P-C4'-P energy: -9.884
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: 3, replica: 8
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -182.165596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.165596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.165596 (E_RNA)
where:
Base-Base interactions energy: -113.708
where: short stacking energy: -66.675
Base-Backbone interact. energy: -0.002
local terms energy: -68.455885
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -6.408
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: 4, replica: 6
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -148.883167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.883167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.883167 (E_RNA)
where:
Base-Base interactions energy: -95.832
where: short stacking energy: -51.065
Base-Backbone interact. energy: 0.420
local terms energy: -53.471727
where:
bonds (distance) C4'-P energy: -15.906
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -5.028
tors. eta vs tors. theta energy: -4.287
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: 3
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -171.896616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.896616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.896616 (E_RNA)
where:
Base-Base interactions energy: -106.494
where: short stacking energy: -62.989
Base-Backbone interact. energy: -0.008
local terms energy: -65.394545
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -10.131
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: 6, replica: 2
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -169.342728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.342728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.342728 (E_RNA)
where:
Base-Base interactions energy: -104.717
where: short stacking energy: -55.159
Base-Backbone interact. energy: -0.013
local terms energy: -64.612697
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -12.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -154.663317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.663317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.663317 (E_RNA)
where:
Base-Base interactions energy: -93.166
where: short stacking energy: -46.585
Base-Backbone interact. energy: -0.103
local terms energy: -61.393821
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -7.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -84.130427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.130427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.130427 (E_RNA)
where:
Base-Base interactions energy: -33.161
where: short stacking energy: -22.607
Base-Backbone interact. energy: 0.304
local terms energy: -51.273160
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -6.162
tors. eta vs tors. theta energy: 0.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -85.240930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.240930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.240930 (E_RNA)
where:
Base-Base interactions energy: -28.891
where: short stacking energy: -28.891
Base-Backbone interact. energy: -0.218
local terms energy: -56.131745
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -1.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -71.242425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.242425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.242425 (E_RNA)
where:
Base-Base interactions energy: -23.733
where: short stacking energy: -23.733
Base-Backbone interact. energy: -0.117
local terms energy: -47.392957
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -7.965
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: 1
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -227.682995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.682995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.682995 (E_RNA)
where:
Base-Base interactions energy: -143.962
where: short stacking energy: -67.288
Base-Backbone interact. energy: -0.614
local terms energy: -83.106921
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -17.326
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -20.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -225.465231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.465231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.465231 (E_RNA)
where:
Base-Base interactions energy: -148.132
where: short stacking energy: -68.148
Base-Backbone interact. energy: -1.857
local terms energy: -75.476291
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -17.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -182.360533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.360533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.360533 (E_RNA)
where:
Base-Base interactions energy: -113.217
where: short stacking energy: -62.555
Base-Backbone interact. energy: -0.024
local terms energy: -69.119686
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -6.013
tors. eta vs tors. theta energy: -17.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -171.223497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.223497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.223497 (E_RNA)
where:
Base-Base interactions energy: -103.097
where: short stacking energy: -44.321
Base-Backbone interact. energy: -0.018
local terms energy: -68.108287
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -8.618
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: 5, replica: 6
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -144.826507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.826507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.826507 (E_RNA)
where:
Base-Base interactions energy: -90.550
where: short stacking energy: -43.034
Base-Backbone interact. energy: -0.156
local terms energy: -54.121198
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -4.339
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: 2
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -160.120202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.120202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.120202 (E_RNA)
where:
Base-Base interactions energy: -99.256
where: short stacking energy: -37.678
Base-Backbone interact. energy: 0.429
local terms energy: -61.293023
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -8.429
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -10.111
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: 4
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -143.932703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.932703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.932703 (E_RNA)
where:
Base-Base interactions energy: -87.102
where: short stacking energy: -41.067
Base-Backbone interact. energy: -0.168
local terms energy: -56.662117
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -10.098
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -6.603
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: 8, replica: 5
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -92.965756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.965756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.965756 (E_RNA)
where:
Base-Base interactions energy: -33.691
where: short stacking energy: -31.771
Base-Backbone interact. energy: 0.140
local terms energy: -59.414896
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -12.090
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -87.671444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.671444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.671444 (E_RNA)
where:
Base-Base interactions energy: -28.665
where: short stacking energy: -28.665
Base-Backbone interact. energy: -0.122
local terms energy: -58.883952
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -3.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -76.563036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.563036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.563036 (E_RNA)
where:
Base-Base interactions energy: -24.349
where: short stacking energy: -12.202
Base-Backbone interact. energy: -0.127
local terms energy: -52.087424
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -9.811
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: 1, replica: 7
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -218.990726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.990726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.990726 (E_RNA)
where:
Base-Base interactions energy: -149.855
where: short stacking energy: -55.628
Base-Backbone interact. energy: -0.926
local terms energy: -68.209037
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -13.794
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -16.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -219.323956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.323956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.323956 (E_RNA)
where:
Base-Base interactions energy: -149.199
where: short stacking energy: -70.993
Base-Backbone interact. energy: -0.352
local terms energy: -69.773406
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -22.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -193.286110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.286110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.286110 (E_RNA)
where:
Base-Base interactions energy: -121.377
where: short stacking energy: -71.898
Base-Backbone interact. energy: -0.122
local terms energy: -71.786710
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -9.975
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: 4, replica: 3
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -176.039890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.039890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.039890 (E_RNA)
where:
Base-Base interactions energy: -108.799
where: short stacking energy: -61.960
Base-Backbone interact. energy: -0.122
local terms energy: -67.118982
where:
bonds (distance) C4'-P energy: -9.748
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -15.118
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: 2
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -174.154577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.154577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.154577 (E_RNA)
where:
Base-Base interactions energy: -106.637
where: short stacking energy: -63.127
Base-Backbone interact. energy: -0.028
local terms energy: -67.489917
where:
bonds (distance) C4'-P energy: -10.069
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -16.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -149.552544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.552544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.552544 (E_RNA)
where:
Base-Base interactions energy: -89.825
where: short stacking energy: -51.793
Base-Backbone interact. energy: -0.246
local terms energy: -59.482139
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -10.502
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -13.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -139.954439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.954439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.954439 (E_RNA)
where:
Base-Base interactions energy: -81.986
where: short stacking energy: -34.897
Base-Backbone interact. energy: -0.127
local terms energy: -57.841504
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -6.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -87.112661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.112661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.112661 (E_RNA)
where:
Base-Base interactions energy: -44.478
where: short stacking energy: -40.295
Base-Backbone interact. energy: -0.146
local terms energy: -42.488721
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -6.671
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -1.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -90.666289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.666289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.666289 (E_RNA)
where:
Base-Base interactions energy: -34.206
where: short stacking energy: -33.344
Base-Backbone interact. energy: -0.118
local terms energy: -56.341796
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -10.673
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -8.415
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: 9
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -75.591713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.591713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.591713 (E_RNA)
where:
Base-Base interactions energy: -27.032
where: short stacking energy: -21.548
Base-Backbone interact. energy: -0.156
local terms energy: -48.403690
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -0.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -222.490467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.490467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.490467 (E_RNA)
where:
Base-Base interactions energy: -154.884
where: short stacking energy: -58.974
Base-Backbone interact. energy: -0.560
local terms energy: -67.045940
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -5.157
tors. eta vs tors. theta energy: -15.419
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: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -219.993345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.993345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.993345 (E_RNA)
where:
Base-Base interactions energy: -140.690
where: short stacking energy: -67.564
Base-Backbone interact. energy: -0.408
local terms energy: -78.895399
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -8.492
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: 8
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -196.945337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.945337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.945337 (E_RNA)
where:
Base-Base interactions energy: -123.766
where: short stacking energy: -53.953
Base-Backbone interact. energy: -0.856
local terms energy: -72.322899
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -12.942
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: 189
Temperature: 1.050000
Total energy: -168.446947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.446947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.446947 (E_RNA)
where:
Base-Base interactions energy: -110.092
where: short stacking energy: -50.466
Base-Backbone interact. energy: -0.167
local terms energy: -58.188205
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -10.918
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -12.565
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: 3
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -175.118812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.118812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.118812 (E_RNA)
where:
Base-Base interactions energy: -107.342
where: short stacking energy: -57.121
Base-Backbone interact. energy: -0.011
local terms energy: -67.765692
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -11.729
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: 6, replica: 4
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -134.713398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.713398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.713398 (E_RNA)
where:
Base-Base interactions energy: -75.198
where: short stacking energy: -29.486
Base-Backbone interact. energy: -0.414
local terms energy: -59.100573
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -5.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -150.938966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.938966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.938966 (E_RNA)
where:
Base-Base interactions energy: -96.975
where: short stacking energy: -46.122
Base-Backbone interact. energy: -0.122
local terms energy: -53.842204
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: -7.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -81.486115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.486115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.486115 (E_RNA)
where:
Base-Base interactions energy: -30.788
where: short stacking energy: -27.201
Base-Backbone interact. energy: -0.002
local terms energy: -50.696797
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -10.399
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -6.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -79.491446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.491446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.491446 (E_RNA)
where:
Base-Base interactions energy: -26.042
where: short stacking energy: -26.042
Base-Backbone interact. energy: -0.355
local terms energy: -53.094873
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -6.457
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: 10, replica: 9
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -90.325161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.325161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.325161 (E_RNA)
where:
Base-Base interactions energy: -36.297
where: short stacking energy: -36.297
Base-Backbone interact. energy: -0.200
local terms energy: -53.827667
where:
bonds (distance) C4'-P energy: -7.197
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -5.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -221.919168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.919168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.919168 (E_RNA)
where:
Base-Base interactions energy: -146.295
where: short stacking energy: -64.410
Base-Backbone interact. energy: -0.989
local terms energy: -74.635510
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -21.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -215.658949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.658949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.658949 (E_RNA)
where:
Base-Base interactions energy: -144.412
where: short stacking energy: -57.797
Base-Backbone interact. energy: -0.689
local terms energy: -70.557738
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -15.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -196.055461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.055461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.055461 (E_RNA)
where:
Base-Base interactions energy: -124.679
where: short stacking energy: -65.757
Base-Backbone interact. energy: -0.083
local terms energy: -71.293420
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -12.249
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: 4, replica: 2
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -174.351009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.351009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.351009 (E_RNA)
where:
Base-Base interactions energy: -106.868
where: short stacking energy: -53.874
Base-Backbone interact. energy: -0.489
local terms energy: -66.994195
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -10.707
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: 5, replica: 3
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -176.839817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.839817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.839817 (E_RNA)
where:
Base-Base interactions energy: -109.143
where: short stacking energy: -52.306
Base-Backbone interact. energy: -0.052
local terms energy: -67.644872
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -14.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -140.120603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.120603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.120603 (E_RNA)
where:
Base-Base interactions energy: -90.809
where: short stacking energy: -33.393
Base-Backbone interact. energy: 2.239
local terms energy: -51.550076
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -6.497
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -3.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -149.718381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.718381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.718381 (E_RNA)
where:
Base-Base interactions energy: -87.383
where: short stacking energy: -37.600
Base-Backbone interact. energy: -0.073
local terms energy: -62.262048
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -5.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -96.745999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.745999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.745999 (E_RNA)
where:
Base-Base interactions energy: -44.390
where: short stacking energy: -41.263
Base-Backbone interact. energy: -0.721
local terms energy: -51.635285
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -9.612
flat angles P-C4'-P energy: -8.515
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: 9, replica: 5
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -92.859257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.859257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.859257 (E_RNA)
where:
Base-Base interactions energy: -47.610
where: short stacking energy: -34.769
Base-Backbone interact. energy: 0.020
local terms energy: -45.269621
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -5.908
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -6.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -74.793182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.793182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.793182 (E_RNA)
where:
Base-Base interactions energy: -26.907
where: short stacking energy: -20.951
Base-Backbone interact. energy: -0.605
local terms energy: -47.281214
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -9.319
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: 4.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -226.031612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.031612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.031612 (E_RNA)
where:
Base-Base interactions energy: -145.313
where: short stacking energy: -64.829
Base-Backbone interact. energy: -1.287
local terms energy: -79.431373
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -19.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -215.844921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.844921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.844921 (E_RNA)
where:
Base-Base interactions energy: -141.707
where: short stacking energy: -70.092
Base-Backbone interact. energy: -0.067
local terms energy: -74.071126
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -8.195
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: 3, replica: 8
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -198.328750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.328750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.328750 (E_RNA)
where:
Base-Base interactions energy: -129.456
where: short stacking energy: -64.287
Base-Backbone interact. energy: -0.495
local terms energy: -68.377543
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -14.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -182.888938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.888938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.888938 (E_RNA)
where:
Base-Base interactions energy: -115.777
where: short stacking energy: -56.440
Base-Backbone interact. energy: -0.579
local terms energy: -66.532307
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -5.688
tors. eta vs tors. theta energy: -15.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -167.519127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.519127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.519127 (E_RNA)
where:
Base-Base interactions energy: -106.287
where: short stacking energy: -54.407
Base-Backbone interact. energy: -1.665
local terms energy: -59.566980
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -11.723
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -12.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -153.591138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.591138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.591138 (E_RNA)
where:
Base-Base interactions energy: -87.622
where: short stacking energy: -47.676
Base-Backbone interact. energy: -0.376
local terms energy: -65.593482
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -9.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -139.445400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.445400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.445400 (E_RNA)
where:
Base-Base interactions energy: -81.467
where: short stacking energy: -45.021
Base-Backbone interact. energy: -0.007
local terms energy: -57.970895
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -6.067
tors. eta vs tors. theta energy: -8.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -90.782991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.782991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.782991 (E_RNA)
where:
Base-Base interactions energy: -34.167
where: short stacking energy: -24.553
Base-Backbone interact. energy: -0.068
local terms energy: -56.548173
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -11.975
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -6.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -90.651986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.651986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.651986 (E_RNA)
where:
Base-Base interactions energy: -38.820
where: short stacking energy: -29.270
Base-Backbone interact. energy: -0.126
local terms energy: -51.706364
where:
bonds (distance) C4'-P energy: -10.149
bonds (distance) P-C4' energy: -10.712
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -4.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -77.677911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.677911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.677911 (E_RNA)
where:
Base-Base interactions energy: -24.463
where: short stacking energy: -24.463
Base-Backbone interact. energy: -0.068
local terms energy: -53.146971
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -10.649
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: 0.764
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: 1, replica: 7
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -221.570312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.570312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.570312 (E_RNA)
where:
Base-Base interactions energy: -150.038
where: short stacking energy: -55.573
Base-Backbone interact. energy: -0.095
local terms energy: -71.437000
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -19.371
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -7.838
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: 2, replica: 1
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -224.198563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.198563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.198563 (E_RNA)
where:
Base-Base interactions energy: -146.145
where: short stacking energy: -68.449
Base-Backbone interact. energy: -0.673
local terms energy: -77.380906
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -21.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -196.905676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.905676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.905676 (E_RNA)
where:
Base-Base interactions energy: -129.163
where: short stacking energy: -66.183
Base-Backbone interact. energy: -0.175
local terms energy: -67.567679
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -9.955
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -17.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -177.021581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.021581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.021581 (E_RNA)
where:
Base-Base interactions energy: -101.734
where: short stacking energy: -58.850
Base-Backbone interact. energy: -0.227
local terms energy: -75.060832
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -19.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -179.721063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.721063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.721063 (E_RNA)
where:
Base-Base interactions energy: -109.015
where: short stacking energy: -66.936
Base-Backbone interact. energy: -0.660
local terms energy: -70.046064
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -6.683
tors. eta vs tors. theta energy: -20.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -156.142718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.142718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.142718 (E_RNA)
where:
Base-Base interactions energy: -97.033
where: short stacking energy: -40.669
Base-Backbone interact. energy: -0.314
local terms energy: -58.796149
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -6.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -140.658065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.658065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.658065 (E_RNA)
where:
Base-Base interactions energy: -83.570
where: short stacking energy: -44.574
Base-Backbone interact. energy: 1.562
local terms energy: -58.650579
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -10.152
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -10.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -112.276673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.276673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.276673 (E_RNA)
where:
Base-Base interactions energy: -59.856
where: short stacking energy: -36.300
Base-Backbone interact. energy: -0.364
local terms energy: -52.056529
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -9.541
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -4.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -95.625328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.625328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.625328 (E_RNA)
where:
Base-Base interactions energy: -39.915
where: short stacking energy: -38.664
Base-Backbone interact. energy: -0.258
local terms energy: -55.452099
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -10.861
flat angles P-C4'-P energy: -4.831
tors. eta vs tors. theta energy: -11.538
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: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -85.764990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.764990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.764990 (E_RNA)
where:
Base-Base interactions energy: -31.722
where: short stacking energy: -30.155
Base-Backbone interact. energy: -0.979
local terms energy: -53.063815
where:
bonds (distance) C4'-P energy: -7.269
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -4.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -215.426918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.426918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.426918 (E_RNA)
where:
Base-Base interactions energy: -137.623
where: short stacking energy: -56.388
Base-Backbone interact. energy: -1.445
local terms energy: -76.358070
where:
bonds (distance) C4'-P energy: -15.906
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -18.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -209.141846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.141846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.141846 (E_RNA)
where:
Base-Base interactions energy: -139.940
where: short stacking energy: -68.474
Base-Backbone interact. energy: -0.519
local terms energy: -68.682956
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -17.816
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: 1
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -201.447289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.447289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.447289 (E_RNA)
where:
Base-Base interactions energy: -128.072
where: short stacking energy: -56.930
Base-Backbone interact. energy: -0.075
local terms energy: -73.300560
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -17.464
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: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -173.765816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.765816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.765816 (E_RNA)
where:
Base-Base interactions energy: -108.089
where: short stacking energy: -56.771
Base-Backbone interact. energy: -0.213
local terms energy: -65.463733
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -13.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -155.590626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.590626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.590626 (E_RNA)
where:
Base-Base interactions energy: -97.052
where: short stacking energy: -50.953
Base-Backbone interact. energy: -0.162
local terms energy: -58.376355
where:
bonds (distance) C4'-P energy: -10.911
bonds (distance) P-C4' energy: -10.236
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -15.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -130.675454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.675454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.675454 (E_RNA)
where:
Base-Base interactions energy: -72.203
where: short stacking energy: -39.596
Base-Backbone interact. energy: 1.083
local terms energy: -59.555520
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -7.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -151.164078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.164078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.164078 (E_RNA)
where:
Base-Base interactions energy: -89.619
where: short stacking energy: -38.331
Base-Backbone interact. energy: -0.082
local terms energy: -61.462847
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -14.156
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: 9
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -84.367767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.367767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.367767 (E_RNA)
where:
Base-Base interactions energy: -37.188
where: short stacking energy: -33.929
Base-Backbone interact. energy: -0.056
local terms energy: -47.124179
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -5.074
tors. eta vs tors. theta energy: -4.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -89.147548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.147548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.147548 (E_RNA)
where:
Base-Base interactions energy: -49.022
where: short stacking energy: -34.683
Base-Backbone interact. energy: -0.132
local terms energy: -39.992944
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -5.793
flat angles P-C4'-P energy: -5.024
tors. eta vs tors. theta energy: -0.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -74.155430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.155430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.155430 (E_RNA)
where:
Base-Base interactions energy: -26.823
where: short stacking energy: -24.800
Base-Backbone interact. energy: -0.300
local terms energy: -47.032693
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -0.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -207.035846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.035846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.035846 (E_RNA)
where:
Base-Base interactions energy: -131.863
where: short stacking energy: -62.601
Base-Backbone interact. energy: -0.415
local terms energy: -74.758352
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -16.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -218.401284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.401284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.401284 (E_RNA)
where:
Base-Base interactions energy: -140.833
where: short stacking energy: -64.653
Base-Backbone interact. energy: -0.106
local terms energy: -77.462930
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -11.072
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: 1
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -209.759271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.759271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.759271 (E_RNA)
where:
Base-Base interactions energy: -142.899
where: short stacking energy: -63.068
Base-Backbone interact. energy: -0.606
local terms energy: -66.254561
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -12.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -179.071237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.071237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.071237 (E_RNA)
where:
Base-Base interactions energy: -111.426
where: short stacking energy: -59.497
Base-Backbone interact. energy: -0.048
local terms energy: -67.597111
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -10.469
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -17.690
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: 194
Temperature: 1.100000
Total energy: -152.744386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.744386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.744386 (E_RNA)
where:
Base-Base interactions energy: -102.395
where: short stacking energy: -44.960
Base-Backbone interact. energy: -1.721
local terms energy: -48.628082
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -8.103
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -4.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -164.842857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.842857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.842857 (E_RNA)
where:
Base-Base interactions energy: -100.665
where: short stacking energy: -52.746
Base-Backbone interact. energy: -0.964
local terms energy: -63.213924
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: -13.654
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: 6
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -153.520179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.520179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.520179 (E_RNA)
where:
Base-Base interactions energy: -94.514
where: short stacking energy: -38.034
Base-Backbone interact. energy: -0.306
local terms energy: -58.700230
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -3.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -95.782528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.782528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.782528 (E_RNA)
where:
Base-Base interactions energy: -41.037
where: short stacking energy: -40.513
Base-Backbone interact. energy: -0.888
local terms energy: -53.856801
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -1.590
tors. eta vs tors. theta energy: -11.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -84.267247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.267247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.267247 (E_RNA)
where:
Base-Base interactions energy: -26.634
where: short stacking energy: -26.634
Base-Backbone interact. energy: -0.110
local terms energy: -57.523426
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -6.022
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: 10, replica: 5
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -77.779539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.779539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.779539 (E_RNA)
where:
Base-Base interactions energy: -25.803
where: short stacking energy: -25.593
Base-Backbone interact. energy: -0.150
local terms energy: -51.826366
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -6.646
tors. eta vs tors. theta energy: 0.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -209.464336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.464336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.464336 (E_RNA)
where:
Base-Base interactions energy: -135.366
where: short stacking energy: -61.460
Base-Backbone interact. energy: -1.013
local terms energy: -73.085967
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -15.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -224.278892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.278892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.278892 (E_RNA)
where:
Base-Base interactions energy: -152.853
where: short stacking energy: -72.563
Base-Backbone interact. energy: -0.059
local terms energy: -71.367340
where:
bonds (distance) C4'-P energy: -8.800
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -20.071
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: 3, replica: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -214.335237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.335237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.335237 (E_RNA)
where:
Base-Base interactions energy: -146.738
where: short stacking energy: -52.178
Base-Backbone interact. energy: -0.546
local terms energy: -67.051635
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -14.747
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: 4
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -158.230845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.230845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.230845 (E_RNA)
where:
Base-Base interactions energy: -94.752
where: short stacking energy: -51.544
Base-Backbone interact. energy: -0.041
local terms energy: -63.437807
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -11.383
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: 5, replica: 3
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -166.590208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.590208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.590208 (E_RNA)
where:
Base-Base interactions energy: -99.593
where: short stacking energy: -49.542
Base-Backbone interact. energy: -0.100
local terms energy: -66.897098
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -12.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -161.783352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.783352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.783352 (E_RNA)
where:
Base-Base interactions energy: -98.046
where: short stacking energy: -46.187
Base-Backbone interact. energy: -0.447
local terms energy: -63.290166
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -11.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -147.452629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.452629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.452629 (E_RNA)
where:
Base-Base interactions energy: -85.106
where: short stacking energy: -41.270
Base-Backbone interact. energy: -0.289
local terms energy: -62.057254
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: -11.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -95.054464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.054464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.054464 (E_RNA)
where:
Base-Base interactions energy: -36.543
where: short stacking energy: -30.617
Base-Backbone interact. energy: -0.115
local terms energy: -58.395722
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -9.774
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -6.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -88.136490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.136490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.136490 (E_RNA)
where:
Base-Base interactions energy: -34.484
where: short stacking energy: -20.655
Base-Backbone interact. energy: 1.272
local terms energy: -54.925095
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -5.686
tors. eta vs tors. theta energy: -3.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -73.831814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.831814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.831814 (E_RNA)
where:
Base-Base interactions energy: -24.104
where: short stacking energy: -16.312
Base-Backbone interact. energy: 1.547
local terms energy: -51.274674
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -12.023
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -3.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -225.871696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.871696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.871696 (E_RNA)
where:
Base-Base interactions energy: -144.693
where: short stacking energy: -67.008
Base-Backbone interact. energy: -0.598
local terms energy: -80.580876
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -22.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -200.532813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.532813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.532813 (E_RNA)
where:
Base-Base interactions energy: -125.784
where: short stacking energy: -66.774
Base-Backbone interact. energy: -0.363
local terms energy: -74.385791
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -16.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -173.064814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.064814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.064814 (E_RNA)
where:
Base-Base interactions energy: -115.024
where: short stacking energy: -54.531
Base-Backbone interact. energy: -0.206
local terms energy: -57.834197
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -8.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -215.403477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.403477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.403477 (E_RNA)
where:
Base-Base interactions energy: -147.620
where: short stacking energy: -59.319
Base-Backbone interact. energy: -0.703
local terms energy: -67.079689
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -14.563
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: 6
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -163.160789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.160789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.160789 (E_RNA)
where:
Base-Base interactions energy: -95.564
where: short stacking energy: -50.121
Base-Backbone interact. energy: -0.338
local terms energy: -67.258579
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -5.946
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: 6, replica: 3
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -154.500178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.500178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.500178 (E_RNA)
where:
Base-Base interactions energy: -99.216
where: short stacking energy: -58.830
Base-Backbone interact. energy: -0.007
local terms energy: -55.277741
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -10.400
flat angles C4'-P-C4' energy: -10.249
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: -11.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -158.349683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.349683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.349683 (E_RNA)
where:
Base-Base interactions energy: -90.963
where: short stacking energy: -49.215
Base-Backbone interact. energy: 0.176
local terms energy: -67.562460
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -14.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -98.005304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.005304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.005304 (E_RNA)
where:
Base-Base interactions energy: -49.904
where: short stacking energy: -24.142
Base-Backbone interact. energy: 0.002
local terms energy: -48.103308
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -4.415
tors. eta vs tors. theta energy: -0.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -86.001224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.001224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.001224 (E_RNA)
where:
Base-Base interactions energy: -26.451
where: short stacking energy: -26.766
Base-Backbone interact. energy: -0.172
local terms energy: -59.378473
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -11.580
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: 10, replica: 5
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -84.636613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.636613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.636613 (E_RNA)
where:
Base-Base interactions energy: -35.626
where: short stacking energy: -35.626
Base-Backbone interact. energy: -0.099
local terms energy: -48.910933
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -7.099
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -6.532
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: 7
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -219.162537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.162537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.162537 (E_RNA)
where:
Base-Base interactions energy: -143.389
where: short stacking energy: -61.482
Base-Backbone interact. energy: -0.994
local terms energy: -74.779487
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -12.885
tors. eta vs tors. theta energy: -17.613
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: 8
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -200.551058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.551058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.551058 (E_RNA)
where:
Base-Base interactions energy: -136.132
where: short stacking energy: -56.439
Base-Backbone interact. energy: -0.911
local terms energy: -63.508728
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -10.928
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -11.693
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: 4
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -180.482707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.482707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.482707 (E_RNA)
where:
Base-Base interactions energy: -111.953
where: short stacking energy: -51.776
Base-Backbone interact. energy: -1.690
local terms energy: -66.839323
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -14.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -214.595495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.595495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.595495 (E_RNA)
where:
Base-Base interactions energy: -145.299
where: short stacking energy: -53.048
Base-Backbone interact. energy: -0.837
local terms energy: -68.459510
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -16.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -159.429592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.429592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.429592 (E_RNA)
where:
Base-Base interactions energy: -94.241
where: short stacking energy: -45.497
Base-Backbone interact. energy: -0.186
local terms energy: -65.002651
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -6.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -148.986423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.986423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.986423 (E_RNA)
where:
Base-Base interactions energy: -93.901
where: short stacking energy: -38.005
Base-Backbone interact. energy: -1.239
local terms energy: -53.846452
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -10.144
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -9.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -165.167873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.167873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.167873 (E_RNA)
where:
Base-Base interactions energy: -104.604
where: short stacking energy: -55.911
Base-Backbone interact. energy: -0.110
local terms energy: -60.453256
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -19.406
flat angles C4'-P-C4' energy: -7.438
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -12.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -103.238220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.238220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.238220 (E_RNA)
where:
Base-Base interactions energy: -42.951
where: short stacking energy: -42.951
Base-Backbone interact. energy: -0.005
local terms energy: -60.282807
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -13.407
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -6.530
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: 10
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -85.609882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.609882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.609882 (E_RNA)
where:
Base-Base interactions energy: -36.137
where: short stacking energy: -22.293
Base-Backbone interact. energy: -0.303
local terms energy: -49.169597
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -6.518
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -4.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -82.683096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.683096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.683096 (E_RNA)
where:
Base-Base interactions energy: -33.322
where: short stacking energy: -28.273
Base-Backbone interact. energy: -0.003
local terms energy: -49.358240
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -10.083
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -2.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -198.699523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.699523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.699523 (E_RNA)
where:
Base-Base interactions energy: -125.942
where: short stacking energy: -61.939
Base-Backbone interact. energy: -0.756
local terms energy: -72.000703
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -18.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -217.398916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.398916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.398916 (E_RNA)
where:
Base-Base interactions energy: -139.707
where: short stacking energy: -58.045
Base-Backbone interact. energy: -1.332
local terms energy: -76.359796
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -11.632
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: 3, replica: 1
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -212.661434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.661434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.661434 (E_RNA)
where:
Base-Base interactions energy: -147.573
where: short stacking energy: -50.958
Base-Backbone interact. energy: -0.068
local terms energy: -65.020199
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -12.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -170.776393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.776393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.776393 (E_RNA)
where:
Base-Base interactions energy: -106.527
where: short stacking energy: -44.449
Base-Backbone interact. energy: -0.395
local terms energy: -63.854616
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -10.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -165.322571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.322571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.322571 (E_RNA)
where:
Base-Base interactions energy: -102.661
where: short stacking energy: -44.480
Base-Backbone interact. energy: -0.051
local terms energy: -62.610495
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -10.843
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: 6, replica: 6
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -157.227306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.227306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.227306 (E_RNA)
where:
Base-Base interactions energy: -95.916
where: short stacking energy: -34.765
Base-Backbone interact. energy: -0.272
local terms energy: -61.038778
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -4.311
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: 2
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -152.667979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.667979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.667979 (E_RNA)
where:
Base-Base interactions energy: -86.712
where: short stacking energy: -48.739
Base-Backbone interact. energy: -0.009
local terms energy: -65.946866
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -10.256
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: 9
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -82.575620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.575620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.575620 (E_RNA)
where:
Base-Base interactions energy: -38.137
where: short stacking energy: -29.064
Base-Backbone interact. energy: -0.173
local terms energy: -44.265161
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: 0.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -98.838931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.838931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.838931 (E_RNA)
where:
Base-Base interactions energy: -53.747
where: short stacking energy: -33.749
Base-Backbone interact. energy: -2.281
local terms energy: -42.811461
where:
bonds (distance) C4'-P energy: -10.042
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -5.199
tors. eta vs tors. theta energy: -5.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -85.113509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.113509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.113509 (E_RNA)
where:
Base-Base interactions energy: -33.714
where: short stacking energy: -25.873
Base-Backbone interact. energy: -0.188
local terms energy: -51.211541
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -3.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -210.702480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.702480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.702480 (E_RNA)
where:
Base-Base interactions energy: -139.848
where: short stacking energy: -67.768
Base-Backbone interact. energy: -0.468
local terms energy: -70.386205
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -11.314
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -19.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -227.100777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.100777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.100777 (E_RNA)
where:
Base-Base interactions energy: -153.510
where: short stacking energy: -53.042
Base-Backbone interact. energy: -1.392
local terms energy: -72.198595
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -14.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -212.871050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.871050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.871050 (E_RNA)
where:
Base-Base interactions energy: -142.476
where: short stacking energy: -51.638
Base-Backbone interact. energy: -1.001
local terms energy: -69.393717
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -8.951
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: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -171.831718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.831718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.831718 (E_RNA)
where:
Base-Base interactions energy: -107.706
where: short stacking energy: -53.198
Base-Backbone interact. energy: -0.055
local terms energy: -64.070523
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -9.074
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: 5, replica: 4
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -156.602780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.602780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.602780 (E_RNA)
where:
Base-Base interactions energy: -90.306
where: short stacking energy: -50.027
Base-Backbone interact. energy: -0.198
local terms energy: -66.098575
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -11.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -170.616488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.616488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.616488 (E_RNA)
where:
Base-Base interactions energy: -105.273
where: short stacking energy: -49.771
Base-Backbone interact. energy: -0.218
local terms energy: -65.125949
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -8.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -157.674981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.674981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.674981 (E_RNA)
where:
Base-Base interactions energy: -91.618
where: short stacking energy: -51.510
Base-Backbone interact. energy: -0.006
local terms energy: -66.050754
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -6.718
tors. eta vs tors. theta energy: -9.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -102.125753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.125753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.125753 (E_RNA)
where:
Base-Base interactions energy: -50.431
where: short stacking energy: -38.869
Base-Backbone interact. energy: -0.609
local terms energy: -51.085920
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -10.160
flat angles C4'-P-C4' energy: -10.322
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -6.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -81.514676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.514676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.514676 (E_RNA)
where:
Base-Base interactions energy: -30.279
where: short stacking energy: -23.093
Base-Backbone interact. energy: -0.090
local terms energy: -51.145181
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -1.793
tors. eta vs tors. theta energy: -5.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -79.630205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.630205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.630205 (E_RNA)
where:
Base-Base interactions energy: -29.482
where: short stacking energy: -17.050
Base-Backbone interact. energy: -0.142
local terms energy: -50.006510
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -10.522
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: 1
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -222.011763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.011763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.011763 (E_RNA)
where:
Base-Base interactions energy: -150.992
where: short stacking energy: -60.159
Base-Backbone interact. energy: -1.005
local terms energy: -70.014031
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -14.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -189.041252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.041252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.041252 (E_RNA)
where:
Base-Base interactions energy: -120.872
where: short stacking energy: -54.369
Base-Backbone interact. energy: -0.115
local terms energy: -68.054059
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -9.782
flat angles P-C4'-P energy: -9.974
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: 7
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -215.713566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.713566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.713566 (E_RNA)
where:
Base-Base interactions energy: -137.794
where: short stacking energy: -61.964
Base-Backbone interact. energy: -0.148
local terms energy: -77.771437
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -18.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -197.312809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.312809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.312809 (E_RNA)
where:
Base-Base interactions energy: -125.264
where: short stacking energy: -65.043
Base-Backbone interact. energy: 1.412
local terms energy: -73.461232
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -18.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -165.600762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.600762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.600762 (E_RNA)
where:
Base-Base interactions energy: -97.210
where: short stacking energy: -50.983
Base-Backbone interact. energy: -0.035
local terms energy: -68.355063
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -8.198
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: 4
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -166.664091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.664091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.664091 (E_RNA)
where:
Base-Base interactions energy: -107.147
where: short stacking energy: -61.608
Base-Backbone interact. energy: 0.653
local terms energy: -60.169804
where:
bonds (distance) C4'-P energy: -7.938
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -10.361
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: 7, replica: 6
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -147.773273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.773273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.773273 (E_RNA)
where:
Base-Base interactions energy: -89.441
where: short stacking energy: -43.280
Base-Backbone interact. energy: -0.834
local terms energy: -57.498006
where:
bonds (distance) C4'-P energy: -8.427
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -6.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -98.157048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.157048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.157048 (E_RNA)
where:
Base-Base interactions energy: -47.711
where: short stacking energy: -47.711
Base-Backbone interact. energy: -0.066
local terms energy: -50.380908
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -11.767
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: -8.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -75.904282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.904282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.904282 (E_RNA)
where:
Base-Base interactions energy: -34.556
where: short stacking energy: -23.634
Base-Backbone interact. energy: -0.264
local terms energy: -41.084067
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -8.668
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: 1.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -83.168015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.168015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.168015 (E_RNA)
where:
Base-Base interactions energy: -35.121
where: short stacking energy: -35.121
Base-Backbone interact. energy: 0.223
local terms energy: -48.270189
where:
bonds (distance) C4'-P energy: -10.194
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -8.293
flat angles P-C4'-P energy: -7.068
tors. eta vs tors. theta energy: -6.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -217.398388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.398388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.398388 (E_RNA)
where:
Base-Base interactions energy: -160.530
where: short stacking energy: -59.709
Base-Backbone interact. energy: -0.701
local terms energy: -56.167519
where:
bonds (distance) C4'-P energy: -7.478
bonds (distance) P-C4' energy: -13.227
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -11.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -216.732952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.732952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.732952 (E_RNA)
where:
Base-Base interactions energy: -145.669
where: short stacking energy: -69.091
Base-Backbone interact. energy: -0.092
local terms energy: -70.971507
where:
bonds (distance) C4'-P energy: -8.638
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -19.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -198.425706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.425706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.425706 (E_RNA)
where:
Base-Base interactions energy: -130.546
where: short stacking energy: -71.572
Base-Backbone interact. energy: -0.489
local terms energy: -67.390147
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -17.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -184.635551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.635551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.635551 (E_RNA)
where:
Base-Base interactions energy: -116.019
where: short stacking energy: -64.928
Base-Backbone interact. energy: -0.328
local terms energy: -68.288133
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -6.243
tors. eta vs tors. theta energy: -18.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -172.066410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.066410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.066410 (E_RNA)
where:
Base-Base interactions energy: -111.124
where: short stacking energy: -48.266
Base-Backbone interact. energy: -1.227
local terms energy: -59.715552
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -8.006
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: 6, replica: 4
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -167.418055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.418055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.418055 (E_RNA)
where:
Base-Base interactions energy: -110.865
where: short stacking energy: -58.514
Base-Backbone interact. energy: -0.759
local terms energy: -55.794010
where:
bonds (distance) C4'-P energy: -7.326
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -6.409
tors. eta vs tors. theta energy: -11.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -158.699769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.699769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.699769 (E_RNA)
where:
Base-Base interactions energy: -106.673
where: short stacking energy: -50.928
Base-Backbone interact. energy: 0.931
local terms energy: -52.957293
where:
bonds (distance) C4'-P energy: -9.454
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -9.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -100.316789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.316789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.316789 (E_RNA)
where:
Base-Base interactions energy: -40.640
where: short stacking energy: -40.640
Base-Backbone interact. energy: -0.001
local terms energy: -59.676167
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -11.865
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -11.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -76.465348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.465348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.465348 (E_RNA)
where:
Base-Base interactions energy: -35.034
where: short stacking energy: -30.927
Base-Backbone interact. energy: -0.002
local terms energy: -41.428725
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -7.557
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -1.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -83.538964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.538964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.538964 (E_RNA)
where:
Base-Base interactions energy: -25.606
where: short stacking energy: -21.107
Base-Backbone interact. energy: -0.169
local terms energy: -57.764071
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -5.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -221.343653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.343653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.343653 (E_RNA)
where:
Base-Base interactions energy: -147.163
where: short stacking energy: -59.112
Base-Backbone interact. energy: -0.198
local terms energy: -73.982441
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -12.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -217.461837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.461837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.461837 (E_RNA)
where:
Base-Base interactions energy: -143.573
where: short stacking energy: -66.156
Base-Backbone interact. energy: -0.257
local terms energy: -73.631980
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -18.733
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: 8
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -201.934631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.934631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.934631 (E_RNA)
where:
Base-Base interactions energy: -129.615
where: short stacking energy: -63.702
Base-Backbone interact. energy: -0.077
local terms energy: -72.242676
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -17.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -180.908640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.908640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.908640 (E_RNA)
where:
Base-Base interactions energy: -108.921
where: short stacking energy: -55.117
Base-Backbone interact. energy: 1.238
local terms energy: -73.225206
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -15.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -176.919697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.919697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.919697 (E_RNA)
where:
Base-Base interactions energy: -113.195
where: short stacking energy: -59.055
Base-Backbone interact. energy: -0.007
local terms energy: -63.717936
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -14.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -145.060183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.060183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.060183 (E_RNA)
where:
Base-Base interactions energy: -84.923
where: short stacking energy: -52.739
Base-Backbone interact. energy: -0.022
local terms energy: -60.115526
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -12.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -146.079597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.079597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.079597 (E_RNA)
where:
Base-Base interactions energy: -87.467
where: short stacking energy: -45.941
Base-Backbone interact. energy: -0.307
local terms energy: -58.305734
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -5.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -81.719760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.719760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.719760 (E_RNA)
where:
Base-Base interactions energy: -29.790
where: short stacking energy: -29.790
Base-Backbone interact. energy: -0.126
local terms energy: -51.803868
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -1.362
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: 202
Temperature: 1.300000
Total energy: -76.861033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.861033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.861033 (E_RNA)
where:
Base-Base interactions energy: -26.623
where: short stacking energy: -23.957
Base-Backbone interact. energy: -0.543
local terms energy: -49.695325
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -9.369
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: 10, replica: 5
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -80.785721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.785721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.785721 (E_RNA)
where:
Base-Base interactions energy: -37.730
where: short stacking energy: -30.216
Base-Backbone interact. energy: 0.815
local terms energy: -43.870695
where:
bonds (distance) C4'-P energy: -6.899
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -1.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -223.560703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.560703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.560703 (E_RNA)
where:
Base-Base interactions energy: -150.677
where: short stacking energy: -58.909
Base-Backbone interact. energy: -0.351
local terms energy: -72.532736
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -13.202
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: 7
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -215.041815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.041815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.041815 (E_RNA)
where:
Base-Base interactions energy: -146.019
where: short stacking energy: -70.576
Base-Backbone interact. energy: -0.006
local terms energy: -69.016965
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -17.574
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: 8
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -182.451995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.451995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.451995 (E_RNA)
where:
Base-Base interactions energy: -117.281
where: short stacking energy: -59.136
Base-Backbone interact. energy: -0.946
local terms energy: -64.224465
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -9.336
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -12.758
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: 3
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -170.380779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.380779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.380779 (E_RNA)
where:
Base-Base interactions energy: -100.149
where: short stacking energy: -53.290
Base-Backbone interact. energy: -0.483
local terms energy: -69.749130
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -11.039
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: 203
Temperature: 1.100000
Total energy: -164.615887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.615887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.615887 (E_RNA)
where:
Base-Base interactions energy: -104.196
where: short stacking energy: -51.066
Base-Backbone interact. energy: -0.094
local terms energy: -60.326041
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -8.748
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: 6
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -160.129065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.129065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.129065 (E_RNA)
where:
Base-Base interactions energy: -96.186
where: short stacking energy: -49.600
Base-Backbone interact. energy: -0.184
local terms energy: -63.758822
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -11.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -131.088464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.088464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.088464 (E_RNA)
where:
Base-Base interactions energy: -75.866
where: short stacking energy: -32.573
Base-Backbone interact. energy: -1.879
local terms energy: -53.343435
where:
bonds (distance) C4'-P energy: -9.640
bonds (distance) P-C4' energy: -12.502
flat angles C4'-P-C4' energy: -9.355
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -9.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -81.150550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.150550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.150550 (E_RNA)
where:
Base-Base interactions energy: -26.520
where: short stacking energy: -20.813
Base-Backbone interact. energy: 0.292
local terms energy: -54.922682
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -6.326
tors. eta vs tors. theta energy: -6.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -72.575668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.575668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.575668 (E_RNA)
where:
Base-Base interactions energy: -23.590
where: short stacking energy: -18.438
Base-Backbone interact. energy: -0.012
local terms energy: -48.973850
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -13.062
flat angles C4'-P-C4' energy: -10.376
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: 0.663
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: 5
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -86.246449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.246449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.246449 (E_RNA)
where:
Base-Base interactions energy: -34.796
where: short stacking energy: -30.868
Base-Backbone interact. energy: -0.085
local terms energy: -51.364930
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -8.072
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -6.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -228.536311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.536311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.536311 (E_RNA)
where:
Base-Base interactions energy: -158.665
where: short stacking energy: -62.888
Base-Backbone interact. energy: -0.510
local terms energy: -69.361248
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -15.487
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: 204
Temperature: 0.950000
Total energy: -218.318169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.318169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.318169 (E_RNA)
where:
Base-Base interactions energy: -142.340
where: short stacking energy: -49.513
Base-Backbone interact. energy: 0.477
local terms energy: -76.455081
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -17.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -189.254775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.254775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.254775 (E_RNA)
where:
Base-Base interactions energy: -121.558
where: short stacking energy: -48.274
Base-Backbone interact. energy: -0.726
local terms energy: -66.969984
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -10.834
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -14.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -172.076342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.076342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.076342 (E_RNA)
where:
Base-Base interactions energy: -106.249
where: short stacking energy: -53.615
Base-Backbone interact. energy: -0.191
local terms energy: -65.636023
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -12.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -184.882625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.882625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.882625 (E_RNA)
where:
Base-Base interactions energy: -106.922
where: short stacking energy: -59.537
Base-Backbone interact. energy: -0.586
local terms energy: -77.375105
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -18.704
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -12.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -178.135113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.135113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.135113 (E_RNA)
where:
Base-Base interactions energy: -111.920
where: short stacking energy: -69.993
Base-Backbone interact. energy: -0.982
local terms energy: -65.233592
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -1.502
tors. eta vs tors. theta energy: -17.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -161.352465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.352465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.352465 (E_RNA)
where:
Base-Base interactions energy: -100.212
where: short stacking energy: -49.864
Base-Backbone interact. energy: -0.018
local terms energy: -61.122778
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -9.937
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -14.603
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: 8, replica: 9
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -92.867620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.867620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.867620 (E_RNA)
where:
Base-Base interactions energy: -39.325
where: short stacking energy: -36.565
Base-Backbone interact. energy: -0.065
local terms energy: -53.477855
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: -3.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -83.073531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.073531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.073531 (E_RNA)
where:
Base-Base interactions energy: -38.756
where: short stacking energy: -27.031
Base-Backbone interact. energy: -0.203
local terms energy: -44.114800
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -9.682
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -4.805
tors. eta vs tors. theta energy: -0.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -99.116554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.116554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.116554 (E_RNA)
where:
Base-Base interactions energy: -38.738
where: short stacking energy: -33.662
Base-Backbone interact. energy: 2.262
local terms energy: -62.641076
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -11.424
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: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -231.922915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.922915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.922915 (E_RNA)
where:
Base-Base interactions energy: -155.989
where: short stacking energy: -56.980
Base-Backbone interact. energy: -0.849
local terms energy: -75.085631
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -12.379
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: 2, replica: 8
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -194.188023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.188023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.188023 (E_RNA)
where:
Base-Base interactions energy: -120.737
where: short stacking energy: -58.655
Base-Backbone interact. energy: -0.374
local terms energy: -73.077010
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -13.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -202.917845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.917845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.917845 (E_RNA)
where:
Base-Base interactions energy: -147.572
where: short stacking energy: -47.460
Base-Backbone interact. energy: -0.302
local terms energy: -55.043456
where:
bonds (distance) C4'-P energy: -9.611
bonds (distance) P-C4' energy: -10.674
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -12.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -184.950685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.950685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.950685 (E_RNA)
where:
Base-Base interactions energy: -113.730
where: short stacking energy: -57.249
Base-Backbone interact. energy: -0.021
local terms energy: -71.199459
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -9.120
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: 5, replica: 3
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -166.114682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.114682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.114682 (E_RNA)
where:
Base-Base interactions energy: -104.373
where: short stacking energy: -58.462
Base-Backbone interact. energy: -0.089
local terms energy: -61.652116
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -5.839
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -18.154
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: 4
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -170.645315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.645315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.645315 (E_RNA)
where:
Base-Base interactions energy: -110.033
where: short stacking energy: -48.933
Base-Backbone interact. energy: -0.098
local terms energy: -60.514012
where:
bonds (distance) C4'-P energy: -8.679
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -15.526
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: 2
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -177.181599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.181599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.181599 (E_RNA)
where:
Base-Base interactions energy: -111.514
where: short stacking energy: -58.422
Base-Backbone interact. energy: -0.525
local terms energy: -65.141901
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -16.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -89.695064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.695064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.695064 (E_RNA)
where:
Base-Base interactions energy: -36.124
where: short stacking energy: -34.075
Base-Backbone interact. energy: -0.232
local terms energy: -53.338894
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -6.854
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: 205
Temperature: 1.300000
Total energy: -84.614651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.614651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.614651 (E_RNA)
where:
Base-Base interactions energy: -37.237
where: short stacking energy: -37.237
Base-Backbone interact. energy: -1.393
local terms energy: -45.984852
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -0.494
tors. eta vs tors. theta energy: -3.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -79.567411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.567411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.567411 (E_RNA)
where:
Base-Base interactions energy: -36.752
where: short stacking energy: -33.210
Base-Backbone interact. energy: -0.072
local terms energy: -42.742960
where:
bonds (distance) C4'-P energy: -8.013
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -2.182
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: 1, replica: 8
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -192.863702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.863702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.863702 (E_RNA)
where:
Base-Base interactions energy: -123.026
where: short stacking energy: -52.080
Base-Backbone interact. energy: -0.029
local terms energy: -69.808176
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -15.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -221.328811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.328811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.328811 (E_RNA)
where:
Base-Base interactions energy: -152.835
where: short stacking energy: -52.217
Base-Backbone interact. energy: -0.029
local terms energy: -68.464869
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -10.656
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: 6
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -183.168789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.168789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.168789 (E_RNA)
where:
Base-Base interactions energy: -107.188
where: short stacking energy: -61.110
Base-Backbone interact. energy: -0.595
local terms energy: -75.385951
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -9.503
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: 4, replica: 7
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -197.560391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.560391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.560391 (E_RNA)
where:
Base-Base interactions energy: -125.048
where: short stacking energy: -56.551
Base-Backbone interact. energy: -0.007
local terms energy: -72.504632
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -18.778
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: 4
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -185.923396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.923396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.923396 (E_RNA)
where:
Base-Base interactions energy: -117.035
where: short stacking energy: -61.628
Base-Backbone interact. energy: -0.075
local terms energy: -68.813179
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -10.601
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: 6, replica: 3
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -187.006293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.006293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.006293 (E_RNA)
where:
Base-Base interactions energy: -120.391
where: short stacking energy: -62.591
Base-Backbone interact. energy: -0.992
local terms energy: -65.623534
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -19.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -153.609161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.609161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.609161 (E_RNA)
where:
Base-Base interactions energy: -101.727
where: short stacking energy: -50.695
Base-Backbone interact. energy: -0.212
local terms energy: -51.669473
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -11.058
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -8.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -95.202226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.202226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.202226 (E_RNA)
where:
Base-Base interactions energy: -41.239
where: short stacking energy: -37.531
Base-Backbone interact. energy: -0.179
local terms energy: -53.784311
where:
bonds (distance) C4'-P energy: -9.375
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -6.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -89.443393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.443393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.443393 (E_RNA)
where:
Base-Base interactions energy: -36.257
where: short stacking energy: -24.847
Base-Backbone interact. energy: -0.523
local terms energy: -52.663061
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -6.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -85.757267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.757267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.757267 (E_RNA)
where:
Base-Base interactions energy: -35.804
where: short stacking energy: -30.429
Base-Backbone interact. energy: 1.601
local terms energy: -51.553862
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -7.929
flat angles P-C4'-P energy: -5.154
tors. eta vs tors. theta energy: -9.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -209.948540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.948540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.948540 (E_RNA)
where:
Base-Base interactions energy: -136.372
where: short stacking energy: -60.411
Base-Backbone interact. energy: 0.001
local terms energy: -73.578027
where:
bonds (distance) C4'-P energy: -10.589
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -17.265
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: 1
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -225.513201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.513201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.513201 (E_RNA)
where:
Base-Base interactions energy: -150.218
where: short stacking energy: -60.387
Base-Backbone interact. energy: -0.024
local terms energy: -75.270472
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -16.114
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: 6
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -181.103073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.103073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.103073 (E_RNA)
where:
Base-Base interactions energy: -111.433
where: short stacking energy: -58.738
Base-Backbone interact. energy: -1.310
local terms energy: -68.360623
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -13.355
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: 7
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -218.391292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.391292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.391292 (E_RNA)
where:
Base-Base interactions energy: -141.967
where: short stacking energy: -66.525
Base-Backbone interact. energy: -0.206
local terms energy: -76.218383
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -11.674
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: 4
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -164.930047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.930047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.930047 (E_RNA)
where:
Base-Base interactions energy: -95.225
where: short stacking energy: -46.948
Base-Backbone interact. energy: -0.085
local terms energy: -69.620790
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -9.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -155.873728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.873728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.873728 (E_RNA)
where:
Base-Base interactions energy: -85.687
where: short stacking energy: -50.709
Base-Backbone interact. energy: -0.070
local terms energy: -70.117142
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -16.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -142.980943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.980943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.980943 (E_RNA)
where:
Base-Base interactions energy: -82.341
where: short stacking energy: -44.815
Base-Backbone interact. energy: -0.618
local terms energy: -60.021763
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -12.876
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -6.353
tors. eta vs tors. theta energy: -11.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -93.871862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.871862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.871862 (E_RNA)
where:
Base-Base interactions energy: -43.660
where: short stacking energy: -42.312
Base-Backbone interact. energy: -0.200
local terms energy: -50.011263
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -8.697
flat angles P-C4'-P energy: -1.815
tors. eta vs tors. theta energy: -12.843
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: 5
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -92.565335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.565335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.565335 (E_RNA)
where:
Base-Base interactions energy: -42.298
where: short stacking energy: -28.819
Base-Backbone interact. energy: -0.370
local terms energy: -49.896804
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -8.694
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: 0.134
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: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -76.449252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.449252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.449252 (E_RNA)
where:
Base-Base interactions energy: -24.918
where: short stacking energy: -22.108
Base-Backbone interact. energy: -0.799
local terms energy: -50.732761
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -11.581
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -4.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -231.856795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.856795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.856795 (E_RNA)
where:
Base-Base interactions energy: -159.871
where: short stacking energy: -58.698
Base-Backbone interact. energy: 0.423
local terms energy: -72.408938
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -15.799
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: 8
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -204.511573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.511573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.511573 (E_RNA)
where:
Base-Base interactions energy: -131.277
where: short stacking energy: -60.882
Base-Backbone interact. energy: -0.111
local terms energy: -73.124420
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -15.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -219.583995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.583995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.583995 (E_RNA)
where:
Base-Base interactions energy: -140.117
where: short stacking energy: -70.191
Base-Backbone interact. energy: -0.001
local terms energy: -79.465617
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -20.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -183.062302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.062302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.062302 (E_RNA)
where:
Base-Base interactions energy: -119.628
where: short stacking energy: -55.981
Base-Backbone interact. energy: -0.557
local terms energy: -62.877421
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -10.300
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: -10.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -164.701750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.701750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.701750 (E_RNA)
where:
Base-Base interactions energy: -97.254
where: short stacking energy: -52.071
Base-Backbone interact. energy: -0.015
local terms energy: -67.433208
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -11.384
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -13.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -138.547671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.547671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.547671 (E_RNA)
where:
Base-Base interactions energy: -83.461
where: short stacking energy: -40.234
Base-Backbone interact. energy: -0.172
local terms energy: -54.915214
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -4.613
tors. eta vs tors. theta energy: -3.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -159.706924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.706924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.706924 (E_RNA)
where:
Base-Base interactions energy: -102.104
where: short stacking energy: -50.006
Base-Backbone interact. energy: -0.172
local terms energy: -57.431341
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -8.720
flat angles C4'-P-C4' energy: -9.915
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -13.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -94.545793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.545793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.545793 (E_RNA)
where:
Base-Base interactions energy: -42.076
where: short stacking energy: -39.807
Base-Backbone interact. energy: -0.203
local terms energy: -52.267421
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -5.648
tors. eta vs tors. theta energy: -6.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -88.602102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.602102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.602102 (E_RNA)
where:
Base-Base interactions energy: -32.421
where: short stacking energy: -27.690
Base-Backbone interact. energy: -0.153
local terms energy: -56.028202
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -19.406
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -70.556611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.556611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.556611 (E_RNA)
where:
Base-Base interactions energy: -31.556
where: short stacking energy: -31.070
Base-Backbone interact. energy: 0.107
local terms energy: -39.107739
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -9.858
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: 1.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -227.477607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.477607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.477607 (E_RNA)
where:
Base-Base interactions energy: -143.891
where: short stacking energy: -74.747
Base-Backbone interact. energy: 0.316
local terms energy: -83.902930
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -21.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -207.894076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.894076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.894076 (E_RNA)
where:
Base-Base interactions energy: -133.446
where: short stacking energy: -58.042
Base-Backbone interact. energy: -0.697
local terms energy: -73.751251
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -11.892
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: 3, replica: 8
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -188.969141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.969141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.969141 (E_RNA)
where:
Base-Base interactions energy: -117.447
where: short stacking energy: -60.557
Base-Backbone interact. energy: -0.160
local terms energy: -71.362882
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -11.617
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -17.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -185.120487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.120487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.120487 (E_RNA)
where:
Base-Base interactions energy: -119.757
where: short stacking energy: -63.391
Base-Backbone interact. energy: -0.351
local terms energy: -65.012724
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -19.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -162.928141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.928141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.928141 (E_RNA)
where:
Base-Base interactions energy: -97.018
where: short stacking energy: -55.209
Base-Backbone interact. energy: -1.171
local terms energy: -64.739150
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: -13.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -165.149644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.149644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.149644 (E_RNA)
where:
Base-Base interactions energy: -105.464
where: short stacking energy: -57.430
Base-Backbone interact. energy: -1.656
local terms energy: -58.030026
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -7.685
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -10.809
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: 7, replica: 3
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -153.135629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.135629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.135629 (E_RNA)
where:
Base-Base interactions energy: -89.006
where: short stacking energy: -40.786
Base-Backbone interact. energy: -0.215
local terms energy: -63.914655
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -7.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -92.835624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.835624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.835624 (E_RNA)
where:
Base-Base interactions energy: -28.619
where: short stacking energy: -25.497
Base-Backbone interact. energy: -0.043
local terms energy: -64.172797
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -13.034
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -5.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -73.324994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.324994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.324994 (E_RNA)
where:
Base-Base interactions energy: -24.345
where: short stacking energy: -21.925
Base-Backbone interact. energy: -0.233
local terms energy: -48.747197
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -10.884
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -9.963
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: 10, replica: 5
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -81.013009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.013009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.013009 (E_RNA)
where:
Base-Base interactions energy: -42.752
where: short stacking energy: -33.648
Base-Backbone interact. energy: -0.117
local terms energy: -38.144676
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -9.706
flat angles C4'-P-C4' energy: -8.233
flat angles P-C4'-P energy: -0.526
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: 1, replica: 7
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -224.752288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.752288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.752288 (E_RNA)
where:
Base-Base interactions energy: -149.478
where: short stacking energy: -71.969
Base-Backbone interact. energy: -0.098
local terms energy: -75.176735
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -21.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -219.973382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.973382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.973382 (E_RNA)
where:
Base-Base interactions energy: -145.945
where: short stacking energy: -72.336
Base-Backbone interact. energy: -0.001
local terms energy: -74.027147
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -17.104
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: 8
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -183.790716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.790716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.790716 (E_RNA)
where:
Base-Base interactions energy: -115.834
where: short stacking energy: -53.218
Base-Backbone interact. energy: -0.117
local terms energy: -67.839277
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -15.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -175.850404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.850404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.850404 (E_RNA)
where:
Base-Base interactions energy: -107.738
where: short stacking energy: -61.149
Base-Backbone interact. energy: -0.015
local terms energy: -68.097297
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -17.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -176.028285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.028285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.028285 (E_RNA)
where:
Base-Base interactions energy: -106.269
where: short stacking energy: -58.689
Base-Backbone interact. energy: -0.007
local terms energy: -69.753024
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -16.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -174.142271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.142271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.142271 (E_RNA)
where:
Base-Base interactions energy: -105.367
where: short stacking energy: -51.120
Base-Backbone interact. energy: -0.030
local terms energy: -68.744955
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -10.373
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -14.233
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: 9
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -103.249322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.249322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.249322 (E_RNA)
where:
Base-Base interactions energy: -64.005
where: short stacking energy: -31.822
Base-Backbone interact. energy: -0.455
local terms energy: -38.789018
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: 0.681
tors. eta vs tors. theta energy: -1.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -147.199725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.199725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.199725 (E_RNA)
where:
Base-Base interactions energy: -86.329
where: short stacking energy: -39.708
Base-Backbone interact. energy: -0.584
local terms energy: -60.287623
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -8.415
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: 5
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -82.523249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.523249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.523249 (E_RNA)
where:
Base-Base interactions energy: -31.935
where: short stacking energy: -31.935
Base-Backbone interact. energy: 1.781
local terms energy: -52.369216
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -6.718
tors. eta vs tors. theta energy: -5.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -76.052595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.052595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.052595 (E_RNA)
where:
Base-Base interactions energy: -24.065
where: short stacking energy: -18.688
Base-Backbone interact. energy: -0.583
local terms energy: -51.405037
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -1.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -224.127100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.127100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.127100 (E_RNA)
where:
Base-Base interactions energy: -153.851
where: short stacking energy: -63.341
Base-Backbone interact. energy: -0.107
local terms energy: -70.169825
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -8.508
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: 2, replica: 1
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -218.467938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.467938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.467938 (E_RNA)
where:
Base-Base interactions energy: -141.410
where: short stacking energy: -60.649
Base-Backbone interact. energy: -0.002
local terms energy: -77.055602
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -21.625
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: 3, replica: 8
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -165.405273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.405273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.405273 (E_RNA)
where:
Base-Base interactions energy: -105.721
where: short stacking energy: -60.873
Base-Backbone interact. energy: -0.005
local terms energy: -59.679593
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -11.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -167.927600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.927600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.927600 (E_RNA)
where:
Base-Base interactions energy: -99.192
where: short stacking energy: -52.530
Base-Backbone interact. energy: -0.346
local terms energy: -68.389932
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -8.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -165.093619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.093619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.093619 (E_RNA)
where:
Base-Base interactions energy: -106.470
where: short stacking energy: -47.209
Base-Backbone interact. energy: -0.092
local terms energy: -58.531358
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -12.747
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: 4
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -165.038624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.038624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.038624 (E_RNA)
where:
Base-Base interactions energy: -103.761
where: short stacking energy: -54.579
Base-Backbone interact. energy: -0.050
local terms energy: -61.227753
where:
bonds (distance) C4'-P energy: -8.944
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -12.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -91.359272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.359272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.359272 (E_RNA)
where:
Base-Base interactions energy: -43.001
where: short stacking energy: -27.539
Base-Backbone interact. energy: 0.923
local terms energy: -49.281165
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: 1.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -149.224848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.224848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.224848 (E_RNA)
where:
Base-Base interactions energy: -90.718
where: short stacking energy: -42.204
Base-Backbone interact. energy: 2.739
local terms energy: -61.246146
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -8.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -83.509905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.509905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.509905 (E_RNA)
where:
Base-Base interactions energy: -29.382
where: short stacking energy: -29.158
Base-Backbone interact. energy: -0.031
local terms energy: -54.096693
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -5.435
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: 10, replica: 10
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -93.865577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.865577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.865577 (E_RNA)
where:
Base-Base interactions energy: -44.017
where: short stacking energy: -16.418
Base-Backbone interact. energy: 0.492
local terms energy: -50.340627
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -13.714
flat angles C4'-P-C4' energy: -10.431
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -3.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -225.552613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.552613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.552613 (E_RNA)
where:
Base-Base interactions energy: -147.260
where: short stacking energy: -61.214
Base-Backbone interact. energy: -0.084
local terms energy: -78.208825
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -17.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -221.075152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.075152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.075152 (E_RNA)
where:
Base-Base interactions energy: -144.265
where: short stacking energy: -65.035
Base-Backbone interact. energy: -0.241
local terms energy: -76.569048
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -18.819
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: 8
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -138.730625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.730625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.730625 (E_RNA)
where:
Base-Base interactions energy: -73.800
where: short stacking energy: -42.031
Base-Backbone interact. energy: -0.275
local terms energy: -64.656287
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -6.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -163.010002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.010002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.010002 (E_RNA)
where:
Base-Base interactions energy: -96.280
where: short stacking energy: -51.858
Base-Backbone interact. energy: -0.420
local terms energy: -66.310323
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -12.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -172.659930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.659930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.659930 (E_RNA)
where:
Base-Base interactions energy: -105.408
where: short stacking energy: -58.898
Base-Backbone interact. energy: -0.246
local terms energy: -67.006565
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -14.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -147.729184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.729184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.729184 (E_RNA)
where:
Base-Base interactions energy: -85.881
where: short stacking energy: -43.772
Base-Backbone interact. energy: -0.239
local terms energy: -61.608303
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -12.644
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: 3
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -138.970123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.970123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.970123 (E_RNA)
where:
Base-Base interactions energy: -75.372
where: short stacking energy: -34.044
Base-Backbone interact. energy: -1.285
local terms energy: -62.312974
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -4.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -84.865992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.865992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.865992 (E_RNA)
where:
Base-Base interactions energy: -26.211
where: short stacking energy: -24.606
Base-Backbone interact. energy: -0.342
local terms energy: -58.313255
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -3.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -85.953938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.953938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.953938 (E_RNA)
where:
Base-Base interactions energy: -39.908
where: short stacking energy: -39.531
Base-Backbone interact. energy: -0.165
local terms energy: -45.880234
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -10.759
flat angles C4'-P-C4' energy: -8.773
flat angles P-C4'-P energy: -3.200
tors. eta vs tors. theta energy: -11.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -104.361718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.361718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.361718 (E_RNA)
where:
Base-Base interactions energy: -57.105
where: short stacking energy: -22.587
Base-Backbone interact. energy: -0.142
local terms energy: -47.115046
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -8.756
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -1.046
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: 1, replica: 7
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -232.040606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.040606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.040606 (E_RNA)
where:
Base-Base interactions energy: -149.370
where: short stacking energy: -72.993
Base-Backbone interact. energy: -0.019
local terms energy: -82.651703
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -21.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -224.387244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.387244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.387244 (E_RNA)
where:
Base-Base interactions energy: -152.634
where: short stacking energy: -65.388
Base-Backbone interact. energy: -0.226
local terms energy: -71.527529
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -18.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -161.230956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.230956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.230956 (E_RNA)
where:
Base-Base interactions energy: -95.507
where: short stacking energy: -46.597
Base-Backbone interact. energy: -0.127
local terms energy: -65.597694
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -10.642
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: 4
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -176.168684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.168684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.168684 (E_RNA)
where:
Base-Base interactions energy: -107.415
where: short stacking energy: -57.932
Base-Backbone interact. energy: -0.268
local terms energy: -68.484954
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -16.687
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: 5, replica: 6
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -165.930334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.930334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.930334 (E_RNA)
where:
Base-Base interactions energy: -89.747
where: short stacking energy: -51.385
Base-Backbone interact. energy: -0.048
local terms energy: -76.134702
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -16.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -158.747255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.747255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.747255 (E_RNA)
where:
Base-Base interactions energy: -92.257
where: short stacking energy: -52.337
Base-Backbone interact. energy: -0.039
local terms energy: -66.451500
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -9.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -157.395478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.395478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.395478 (E_RNA)
where:
Base-Base interactions energy: -90.938
where: short stacking energy: -44.201
Base-Backbone interact. energy: -0.007
local terms energy: -66.450485
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -11.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -88.989747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.989747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.989747 (E_RNA)
where:
Base-Base interactions energy: -38.820
where: short stacking energy: -25.333
Base-Backbone interact. energy: 0.110
local terms energy: -50.279742
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -9.580
flat angles P-C4'-P energy: -10.949
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: 9, replica: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -80.162115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.162115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.162115 (E_RNA)
where:
Base-Base interactions energy: -30.192
where: short stacking energy: -30.192
Base-Backbone interact. energy: -0.182
local terms energy: -49.788065
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -9.102
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -6.137
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: 10, replica: 5
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -87.966237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.966237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.966237 (E_RNA)
where:
Base-Base interactions energy: -29.091
where: short stacking energy: -29.091
Base-Backbone interact. energy: -0.153
local terms energy: -58.721974
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -3.536
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: 7
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -219.999026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.999026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.999026 (E_RNA)
where:
Base-Base interactions energy: -145.504
where: short stacking energy: -70.710
Base-Backbone interact. energy: -0.015
local terms energy: -74.479373
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -13.444
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: 2, replica: 1
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -221.230413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.230413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.230413 (E_RNA)
where:
Base-Base interactions energy: -144.683
where: short stacking energy: -58.629
Base-Backbone interact. energy: -0.754
local terms energy: -75.793040
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -180.436136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.436136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.436136 (E_RNA)
where:
Base-Base interactions energy: -107.715
where: short stacking energy: -55.297
Base-Backbone interact. energy: -0.080
local terms energy: -72.641270
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -6.151
tors. eta vs tors. theta energy: -18.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -162.812907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.812907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.812907 (E_RNA)
where:
Base-Base interactions energy: -105.963
where: short stacking energy: -51.797
Base-Backbone interact. energy: -0.888
local terms energy: -55.962315
where:
bonds (distance) C4'-P energy: -10.110
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -10.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -165.202515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.202515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.202515 (E_RNA)
where:
Base-Base interactions energy: -106.130
where: short stacking energy: -54.714
Base-Backbone interact. energy: -0.124
local terms energy: -58.948393
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -10.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -173.001478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.001478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.001478 (E_RNA)
where:
Base-Base interactions energy: -109.020
where: short stacking energy: -47.058
Base-Backbone interact. energy: -0.487
local terms energy: -63.494757
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -5.354
tors. eta vs tors. theta energy: -12.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -139.347748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.347748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.347748 (E_RNA)
where:
Base-Base interactions energy: -80.765
where: short stacking energy: -46.716
Base-Backbone interact. energy: -0.455
local terms energy: -58.127969
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -8.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -79.851533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.851533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.851533 (E_RNA)
where:
Base-Base interactions energy: -30.246
where: short stacking energy: -25.491
Base-Backbone interact. energy: -0.820
local terms energy: -48.785551
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -2.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -77.691554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.691554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.691554 (E_RNA)
where:
Base-Base interactions energy: -36.053
where: short stacking energy: -31.176
Base-Backbone interact. energy: 0.347
local terms energy: -41.985358
where:
bonds (distance) C4'-P energy: -9.138
bonds (distance) P-C4' energy: -8.201
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -0.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -80.229136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.229136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.229136 (E_RNA)
where:
Base-Base interactions energy: -34.901
where: short stacking energy: -22.066
Base-Backbone interact. energy: -0.341
local terms energy: -44.987238
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -2.653
tors. eta vs tors. theta energy: -2.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -221.197123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.197123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.197123 (E_RNA)
where:
Base-Base interactions energy: -143.056
where: short stacking energy: -60.781
Base-Backbone interact. energy: -0.360
local terms energy: -77.780817
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -7.068
tors. eta vs tors. theta energy: -20.157
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: 1
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -215.213546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.213546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.213546 (E_RNA)
where:
Base-Base interactions energy: -148.754
where: short stacking energy: -53.392
Base-Backbone interact. energy: -0.466
local terms energy: -65.993138
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -14.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -194.030930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.030930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.030930 (E_RNA)
where:
Base-Base interactions energy: -118.352
where: short stacking energy: -71.122
Base-Backbone interact. energy: -0.130
local terms energy: -75.548382
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -21.842
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: 8
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -187.219869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.219869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.219869 (E_RNA)
where:
Base-Base interactions energy: -122.680
where: short stacking energy: -57.814
Base-Backbone interact. energy: -0.330
local terms energy: -64.210031
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -13.605
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: 6
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -166.819290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.819290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.819290 (E_RNA)
where:
Base-Base interactions energy: -101.602
where: short stacking energy: -56.190
Base-Backbone interact. energy: -0.174
local terms energy: -65.042632
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -10.834
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -15.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -150.902042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.902042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.902042 (E_RNA)
where:
Base-Base interactions energy: -78.859
where: short stacking energy: -45.232
Base-Backbone interact. energy: -0.421
local terms energy: -71.621810
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -11.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -141.083704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.083704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.083704 (E_RNA)
where:
Base-Base interactions energy: -75.044
where: short stacking energy: -48.095
Base-Backbone interact. energy: -1.154
local terms energy: -64.885096
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -4.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -79.691331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.691331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.691331 (E_RNA)
where:
Base-Base interactions energy: -27.619
where: short stacking energy: -23.630
Base-Backbone interact. energy: 0.190
local terms energy: -52.261507
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -8.677
flat angles P-C4'-P energy: -7.305
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: 9, replica: 10
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -84.868822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.868822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.868822 (E_RNA)
where:
Base-Base interactions energy: -33.010
where: short stacking energy: -32.897
Base-Backbone interact. energy: -0.325
local terms energy: -51.534665
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -5.294
tors. eta vs tors. theta energy: -6.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -78.490406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.490406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.490406 (E_RNA)
where:
Base-Base interactions energy: -24.590
where: short stacking energy: -22.928
Base-Backbone interact. energy: -1.589
local terms energy: -52.311650
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -2.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -222.605316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.605316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.605316 (E_RNA)
where:
Base-Base interactions energy: -143.041
where: short stacking energy: -67.892
Base-Backbone interact. energy: -0.493
local terms energy: -79.070557
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -18.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -215.443245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.443245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.443245 (E_RNA)
where:
Base-Base interactions energy: -143.336
where: short stacking energy: -59.792
Base-Backbone interact. energy: -0.033
local terms energy: -72.074140
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -17.092
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: 4
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -196.424074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.424074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.424074 (E_RNA)
where:
Base-Base interactions energy: -124.297
where: short stacking energy: -62.961
Base-Backbone interact. energy: -0.631
local terms energy: -71.495792
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -19.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -177.208758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.208758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.208758 (E_RNA)
where:
Base-Base interactions energy: -106.758
where: short stacking energy: -60.066
Base-Backbone interact. energy: -0.101
local terms energy: -70.349139
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -15.042
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: 5, replica: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -170.040202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.040202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.040202 (E_RNA)
where:
Base-Base interactions energy: -105.252
where: short stacking energy: -56.370
Base-Backbone interact. energy: -0.015
local terms energy: -64.772864
where:
bonds (distance) C4'-P energy: -9.940
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: -16.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -157.634874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.634874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.634874 (E_RNA)
where:
Base-Base interactions energy: -98.962
where: short stacking energy: -45.713
Base-Backbone interact. energy: 0.317
local terms energy: -58.990363
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -10.204
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: 7, replica: 9
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -105.855631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.855631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.855631 (E_RNA)
where:
Base-Base interactions energy: -36.618
where: short stacking energy: -35.978
Base-Backbone interact. energy: -0.079
local terms energy: -69.158497
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -11.251
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: 3
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -137.407830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.407830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.407830 (E_RNA)
where:
Base-Base interactions energy: -86.481
where: short stacking energy: -39.477
Base-Backbone interact. energy: -0.300
local terms energy: -50.627201
where:
bonds (distance) C4'-P energy: -8.358
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -4.080
tors. eta vs tors. theta energy: -6.894
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: 9, replica: 5
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -82.235899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.235899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.235899 (E_RNA)
where:
Base-Base interactions energy: -34.931
where: short stacking energy: -28.294
Base-Backbone interact. energy: 2.628
local terms energy: -49.932982
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -11.460
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -77.937737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.937737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.937737 (E_RNA)
where:
Base-Base interactions energy: -30.632
where: short stacking energy: -20.618
Base-Backbone interact. energy: -0.495
local terms energy: -46.811504
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -10.755
flat angles P-C4'-P energy: -5.213
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: 1, replica: 7
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -211.405344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.405344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.405344 (E_RNA)
where:
Base-Base interactions energy: -134.900
where: short stacking energy: -67.001
Base-Backbone interact. energy: -0.427
local terms energy: -76.078724
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -17.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -213.202112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.202112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.202112 (E_RNA)
where:
Base-Base interactions energy: -146.207
where: short stacking energy: -59.491
Base-Backbone interact. energy: -0.163
local terms energy: -66.832077
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -14.083
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: 4
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -182.184147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.184147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.184147 (E_RNA)
where:
Base-Base interactions energy: -112.418
where: short stacking energy: -58.592
Base-Backbone interact. energy: -0.051
local terms energy: -69.715349
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -14.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -180.155655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.155655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.155655 (E_RNA)
where:
Base-Base interactions energy: -112.252
where: short stacking energy: -58.894
Base-Backbone interact. energy: -0.043
local terms energy: -67.860969
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -16.554
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: 5, replica: 8
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -168.654849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.654849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.654849 (E_RNA)
where:
Base-Base interactions energy: -95.510
where: short stacking energy: -51.131
Base-Backbone interact. energy: -0.878
local terms energy: -72.266992
where:
bonds (distance) C4'-P energy: -16.897
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -14.543
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: 6, replica: 6
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -170.428882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.428882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.428882 (E_RNA)
where:
Base-Base interactions energy: -111.773
where: short stacking energy: -64.429
Base-Backbone interact. energy: 3.268
local terms energy: -61.924499
where:
bonds (distance) C4'-P energy: -6.300
bonds (distance) P-C4' energy: -11.832
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -9.812
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: 7, replica: 9
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -102.188718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.188718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.188718 (E_RNA)
where:
Base-Base interactions energy: -41.986
where: short stacking energy: -36.843
Base-Backbone interact. energy: 0.658
local terms energy: -60.860574
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -9.916
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -8.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -134.641005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.641005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.641005 (E_RNA)
where:
Base-Base interactions energy: -86.513
where: short stacking energy: -43.789
Base-Backbone interact. energy: -0.973
local terms energy: -47.155364
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -9.572
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -2.529
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: 5
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -87.205528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.205528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.205528 (E_RNA)
where:
Base-Base interactions energy: -38.534
where: short stacking energy: -30.520
Base-Backbone interact. energy: 0.101
local terms energy: -48.772977
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -9.905
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: 1.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -83.383000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.383000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.383000 (E_RNA)
where:
Base-Base interactions energy: -34.870
where: short stacking energy: -29.304
Base-Backbone interact. energy: -0.215
local terms energy: -48.297883
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -10.769
flat angles C4'-P-C4' energy: -10.382
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -5.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -215.477236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.477236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.477236 (E_RNA)
where:
Base-Base interactions energy: -139.341
where: short stacking energy: -58.275
Base-Backbone interact. energy: -0.290
local terms energy: -75.845468
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -11.278
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: 2, replica: 7
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -207.294671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.294671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.294671 (E_RNA)
where:
Base-Base interactions energy: -138.625
where: short stacking energy: -69.582
Base-Backbone interact. energy: -0.020
local terms energy: -68.649341
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -18.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -193.789398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.789398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.789398 (E_RNA)
where:
Base-Base interactions energy: -115.047
where: short stacking energy: -63.996
Base-Backbone interact. energy: -1.360
local terms energy: -77.382645
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -19.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -179.898158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.898158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.898158 (E_RNA)
where:
Base-Base interactions energy: -112.570
where: short stacking energy: -55.291
Base-Backbone interact. energy: -0.004
local terms energy: -67.324230
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -13.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -167.947745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.947745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.947745 (E_RNA)
where:
Base-Base interactions energy: -94.934
where: short stacking energy: -50.387
Base-Backbone interact. energy: -0.079
local terms energy: -72.935114
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -14.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -166.953880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.953880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.953880 (E_RNA)
where:
Base-Base interactions energy: -101.906
where: short stacking energy: -55.763
Base-Backbone interact. energy: -0.093
local terms energy: -64.954867
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -11.399
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -12.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -160.272338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.272338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.272338 (E_RNA)
where:
Base-Base interactions energy: -100.204
where: short stacking energy: -43.967
Base-Backbone interact. energy: -0.574
local terms energy: -59.493611
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -12.686
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: 218
Temperature: 1.250000
Total energy: -86.318488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.318488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.318488 (E_RNA)
where:
Base-Base interactions energy: -30.970
where: short stacking energy: -27.435
Base-Backbone interact. energy: -0.452
local terms energy: -54.896448
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -10.819
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -3.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -85.272839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.272839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.272839 (E_RNA)
where:
Base-Base interactions energy: -26.913
where: short stacking energy: -26.907
Base-Backbone interact. energy: -0.312
local terms energy: -58.047892
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -7.699
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: 10, replica: 5
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -76.648315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.648315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.648315 (E_RNA)
where:
Base-Base interactions energy: -34.977
where: short stacking energy: -33.255
Base-Backbone interact. energy: -0.007
local terms energy: -41.664053
where:
bonds (distance) C4'-P energy: -8.249
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -7.434
flat angles P-C4'-P energy: -2.603
tors. eta vs tors. theta energy: -6.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -219.932819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.932819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.932819 (E_RNA)
where:
Base-Base interactions energy: -142.554
where: short stacking energy: -71.470
Base-Backbone interact. energy: 0.675
local terms energy: -78.053982
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -19.777
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: 7
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -202.323554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.323554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.323554 (E_RNA)
where:
Base-Base interactions energy: -130.033
where: short stacking energy: -63.958
Base-Backbone interact. energy: -0.051
local terms energy: -72.239844
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -19.317
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: 2
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -190.286520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.286520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.286520 (E_RNA)
where:
Base-Base interactions energy: -114.495
where: short stacking energy: -65.913
Base-Backbone interact. energy: -0.004
local terms energy: -75.786629
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -20.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -199.224164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.224164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.224164 (E_RNA)
where:
Base-Base interactions energy: -118.597
where: short stacking energy: -73.453
Base-Backbone interact. energy: -0.104
local terms energy: -80.522936
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -18.747
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -19.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -154.762777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.762777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.762777 (E_RNA)
where:
Base-Base interactions energy: -95.478
where: short stacking energy: -45.998
Base-Backbone interact. energy: -0.192
local terms energy: -59.092924
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -10.661
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: 6, replica: 3
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -160.317361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.317361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.317361 (E_RNA)
where:
Base-Base interactions energy: -99.489
where: short stacking energy: -52.098
Base-Backbone interact. energy: -0.164
local terms energy: -60.664765
where:
bonds (distance) C4'-P energy: -10.124
bonds (distance) P-C4' energy: -12.023
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -12.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -146.011598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.011598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.011598 (E_RNA)
where:
Base-Base interactions energy: -82.485
where: short stacking energy: -44.821
Base-Backbone interact. energy: -0.276
local terms energy: -63.250213
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -6.357
tors. eta vs tors. theta energy: -11.098
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: 10
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -86.172877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.172877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.172877 (E_RNA)
where:
Base-Base interactions energy: -37.507
where: short stacking energy: -37.507
Base-Backbone interact. energy: 1.137
local terms energy: -49.802963
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -5.275
tors. eta vs tors. theta energy: -3.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -84.578347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.578347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.578347 (E_RNA)
where:
Base-Base interactions energy: -34.383
where: short stacking energy: -32.749
Base-Backbone interact. energy: -0.104
local terms energy: -50.091627
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -3.416
tors. eta vs tors. theta energy: -6.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -85.871702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.871702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.871702 (E_RNA)
where:
Base-Base interactions energy: -36.715
where: short stacking energy: -32.930
Base-Backbone interact. energy: -0.005
local terms energy: -49.151383
where:
bonds (distance) C4'-P energy: -8.329
bonds (distance) P-C4' energy: -10.177
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -7.583
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: 1, replica: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -224.262960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.262960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.262960 (E_RNA)
where:
Base-Base interactions energy: -146.702
where: short stacking energy: -71.397
Base-Backbone interact. energy: -0.549
local terms energy: -77.012566
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -18.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -213.624381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.624381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.624381 (E_RNA)
where:
Base-Base interactions energy: -138.343
where: short stacking energy: -73.343
Base-Backbone interact. energy: -0.085
local terms energy: -75.196656
where:
bonds (distance) C4'-P energy: -11.268
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -22.084
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: 4
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -189.054979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.054979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.054979 (E_RNA)
where:
Base-Base interactions energy: -111.272
where: short stacking energy: -62.454
Base-Backbone interact. energy: -0.549
local terms energy: -77.234336
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -10.231
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: 4, replica: 2
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -167.756513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.756513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.756513 (E_RNA)
where:
Base-Base interactions energy: -106.372
where: short stacking energy: -58.871
Base-Backbone interact. energy: -0.071
local terms energy: -61.312828
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -12.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -153.118704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.118704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.118704 (E_RNA)
where:
Base-Base interactions energy: -90.757
where: short stacking energy: -48.220
Base-Backbone interact. energy: -0.046
local terms energy: -62.314751
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -11.029
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -15.731
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: 6
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -163.014117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.014117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.014117 (E_RNA)
where:
Base-Base interactions energy: -100.305
where: short stacking energy: -51.696
Base-Backbone interact. energy: -0.302
local terms energy: -62.407971
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -11.451
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -12.338
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: 220
Temperature: 1.200000
Total energy: -88.430079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.430079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.430079 (E_RNA)
where:
Base-Base interactions energy: -32.462
where: short stacking energy: -32.462
Base-Backbone interact. energy: -0.194
local terms energy: -55.774196
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -9.737
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: 8, replica: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -92.104495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.104495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.104495 (E_RNA)
where:
Base-Base interactions energy: -31.054
where: short stacking energy: -29.980
Base-Backbone interact. energy: -0.401
local terms energy: -60.650092
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -1.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -80.084023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.084023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.084023 (E_RNA)
where:
Base-Base interactions energy: -33.303
where: short stacking energy: -20.363
Base-Backbone interact. energy: -0.335
local terms energy: -46.445916
where:
bonds (distance) C4'-P energy: -10.863
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: 0.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -85.981444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.981444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.981444 (E_RNA)
where:
Base-Base interactions energy: -39.884
where: short stacking energy: -23.995
Base-Backbone interact. energy: 1.456
local terms energy: -47.553272
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: 1.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -225.530082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.530082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.530082 (E_RNA)
where:
Base-Base interactions energy: -143.997
where: short stacking energy: -71.312
Base-Backbone interact. energy: -0.602
local terms energy: -80.930890
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -22.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -214.228719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.228719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.228719 (E_RNA)
where:
Base-Base interactions energy: -143.625
where: short stacking energy: -69.624
Base-Backbone interact. energy: -0.112
local terms energy: -70.491863
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: -19.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -165.579684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.579684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.579684 (E_RNA)
where:
Base-Base interactions energy: -102.638
where: short stacking energy: -52.295
Base-Backbone interact. energy: -0.121
local terms energy: -62.820224
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -13.403
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -12.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -156.619451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.619451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.619451 (E_RNA)
where:
Base-Base interactions energy: -91.737
where: short stacking energy: -39.612
Base-Backbone interact. energy: -0.091
local terms energy: -64.791695
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -10.903
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -8.419
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: 2
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -171.497761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.497761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.497761 (E_RNA)
where:
Base-Base interactions energy: -112.914
where: short stacking energy: -52.089
Base-Backbone interact. energy: -0.338
local terms energy: -58.246467
where:
bonds (distance) C4'-P energy: -9.966
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -11.890
flat angles P-C4'-P energy: -8.881
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: 6, replica: 6
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -144.716289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.716289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.716289 (E_RNA)
where:
Base-Base interactions energy: -90.756
where: short stacking energy: -49.464
Base-Backbone interact. energy: 0.115
local terms energy: -54.075237
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -8.064
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: 10
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -85.670554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.670554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.670554 (E_RNA)
where:
Base-Base interactions energy: -36.564
where: short stacking energy: -27.478
Base-Backbone interact. energy: -1.060
local terms energy: -48.047205
where:
bonds (distance) C4'-P energy: -7.420
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -5.470
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: 8, replica: 5
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -90.260143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.260143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.260143 (E_RNA)
where:
Base-Base interactions energy: -35.023
where: short stacking energy: -30.665
Base-Backbone interact. energy: 0.876
local terms energy: -56.113895
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -1.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -97.986125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.986125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.986125 (E_RNA)
where:
Base-Base interactions energy: -37.452
where: short stacking energy: -36.233
Base-Backbone interact. energy: -0.041
local terms energy: -60.492901
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -9.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -88.669302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.669302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.669302 (E_RNA)
where:
Base-Base interactions energy: -34.844
where: short stacking energy: -30.764
Base-Backbone interact. energy: 0.154
local terms energy: -53.979520
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -11.581
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -5.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -223.231736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.231736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.231736 (E_RNA)
where:
Base-Base interactions energy: -147.733
where: short stacking energy: -66.873
Base-Backbone interact. energy: -0.000
local terms energy: -75.498502
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -20.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -211.119602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.119602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.119602 (E_RNA)
where:
Base-Base interactions energy: -139.056
where: short stacking energy: -63.535
Base-Backbone interact. energy: -0.259
local terms energy: -71.805455
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -18.714
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: 3, replica: 4
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -175.238647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.238647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.238647 (E_RNA)
where:
Base-Base interactions energy: -103.997
where: short stacking energy: -59.627
Base-Backbone interact. energy: -0.132
local terms energy: -71.109009
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -12.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -171.694823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.694823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.694823 (E_RNA)
where:
Base-Base interactions energy: -96.031
where: short stacking energy: -56.027
Base-Backbone interact. energy: -0.056
local terms energy: -75.607714
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -15.592
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: 5, replica: 6
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -138.122580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.122580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.122580 (E_RNA)
where:
Base-Base interactions energy: -77.690
where: short stacking energy: -47.620
Base-Backbone interact. energy: 0.338
local terms energy: -60.770334
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -11.250
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -11.416
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: 2
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -160.155674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.155674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.155674 (E_RNA)
where:
Base-Base interactions energy: -94.732
where: short stacking energy: -48.827
Base-Backbone interact. energy: -0.505
local terms energy: -64.919260
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -10.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -102.321186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.321186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.321186 (E_RNA)
where:
Base-Base interactions energy: -41.340
where: short stacking energy: -31.108
Base-Backbone interact. energy: 0.082
local terms energy: -61.062983
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -10.304
tors. eta vs tors. theta energy: -4.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -95.500634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.500634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.500634 (E_RNA)
where:
Base-Base interactions energy: -39.388
where: short stacking energy: -39.388
Base-Backbone interact. energy: -0.054
local terms energy: -56.059347
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -13.108
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: 8
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -87.341765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.341765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.341765 (E_RNA)
where:
Base-Base interactions energy: -50.954
where: short stacking energy: -27.302
Base-Backbone interact. energy: -0.661
local terms energy: -35.726829
where:
bonds (distance) C4'-P energy: -6.408
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -3.994
tors. eta vs tors. theta energy: -2.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -78.297945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.297945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.297945 (E_RNA)
where:
Base-Base interactions energy: -26.866
where: short stacking energy: -26.762
Base-Backbone interact. energy: -0.088
local terms energy: -51.343760
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -7.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -229.907656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.907656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.907656 (E_RNA)
where:
Base-Base interactions energy: -147.777
where: short stacking energy: -68.054
Base-Backbone interact. energy: -0.643
local terms energy: -81.488288
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -18.222
flat angles P-C4'-P energy: -12.750
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: 2, replica: 7
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -218.880184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.880184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.880184 (E_RNA)
where:
Base-Base interactions energy: -152.080
where: short stacking energy: -71.728
Base-Backbone interact. energy: 0.061
local terms energy: -66.861506
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -8.400
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -8.022
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: 4
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -201.180855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.180855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.180855 (E_RNA)
where:
Base-Base interactions energy: -126.602
where: short stacking energy: -62.567
Base-Backbone interact. energy: -0.329
local terms energy: -74.249208
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -12.285
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: 4, replica: 6
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -151.235721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.235721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.235721 (E_RNA)
where:
Base-Base interactions energy: -92.879
where: short stacking energy: -42.888
Base-Backbone interact. energy: -0.410
local terms energy: -57.946594
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -7.918
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: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -173.129240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.129240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.129240 (E_RNA)
where:
Base-Base interactions energy: -106.483
where: short stacking energy: -58.269
Base-Backbone interact. energy: -0.003
local terms energy: -66.643872
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -16.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -168.967353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.967353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.967353 (E_RNA)
where:
Base-Base interactions energy: -99.638
where: short stacking energy: -52.019
Base-Backbone interact. energy: -0.532
local terms energy: -68.797396
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -8.832
flat angles P-C4'-P energy: -13.237
tors. eta vs tors. theta energy: -13.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -98.839113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.839113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.839113 (E_RNA)
where:
Base-Base interactions energy: -41.298
where: short stacking energy: -27.648
Base-Backbone interact. energy: -0.225
local terms energy: -57.316357
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -89.638353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.638353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.638353 (E_RNA)
where:
Base-Base interactions energy: -43.049
where: short stacking energy: -35.444
Base-Backbone interact. energy: -0.253
local terms energy: -46.336215
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -9.975
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -1.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -76.122881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.122881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.122881 (E_RNA)
where:
Base-Base interactions energy: -31.264
where: short stacking energy: -17.686
Base-Backbone interact. energy: 0.281
local terms energy: -45.139858
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -11.158
flat angles P-C4'-P energy: -5.721
tors. eta vs tors. theta energy: 1.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -81.280587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.280587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.280587 (E_RNA)
where:
Base-Base interactions energy: -43.780
where: short stacking energy: -35.840
Base-Backbone interact. energy: 1.068
local terms energy: -38.569211
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -5.564
flat angles P-C4'-P energy: -2.189
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: 1, replica: 1
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -224.909714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.909714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.909714 (E_RNA)
where:
Base-Base interactions energy: -145.397
where: short stacking energy: -70.086
Base-Backbone interact. energy: -0.505
local terms energy: -79.008006
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -21.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -220.640886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.640886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.640886 (E_RNA)
where:
Base-Base interactions energy: -148.286
where: short stacking energy: -72.304
Base-Backbone interact. energy: -0.749
local terms energy: -71.605265
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -11.163
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -21.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -198.797250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.797250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.797250 (E_RNA)
where:
Base-Base interactions energy: -126.449
where: short stacking energy: -73.400
Base-Backbone interact. energy: -0.882
local terms energy: -71.466940
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -19.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -154.217587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.217587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.217587 (E_RNA)
where:
Base-Base interactions energy: -92.039
where: short stacking energy: -50.486
Base-Backbone interact. energy: -0.036
local terms energy: -62.142931
where:
bonds (distance) C4'-P energy: -11.758
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -8.931
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: 224
Temperature: 1.100000
Total energy: -147.202049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.202049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.202049 (E_RNA)
where:
Base-Base interactions energy: -89.293
where: short stacking energy: -47.327
Base-Backbone interact. energy: -0.199
local terms energy: -57.710142
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -9.458
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -10.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -142.374466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.374466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.374466 (E_RNA)
where:
Base-Base interactions energy: -86.750
where: short stacking energy: -36.574
Base-Backbone interact. energy: -0.188
local terms energy: -55.435829
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -5.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -98.912057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.912057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.912057 (E_RNA)
where:
Base-Base interactions energy: -53.759
where: short stacking energy: -34.958
Base-Backbone interact. energy: 0.984
local terms energy: -46.136973
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -9.629
flat angles P-C4'-P energy: -5.385
tors. eta vs tors. theta energy: -2.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -101.360837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.360837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.360837 (E_RNA)
where:
Base-Base interactions energy: -61.230
where: short stacking energy: -40.968
Base-Backbone interact. energy: -0.326
local terms energy: -39.804366
where:
bonds (distance) C4'-P energy: -3.265
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -0.269
tors. eta vs tors. theta energy: -9.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -69.509371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.509371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.509371 (E_RNA)
where:
Base-Base interactions energy: -30.218
where: short stacking energy: -24.952
Base-Backbone interact. energy: -0.377
local terms energy: -38.914713
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: 4.540
tors. eta vs tors. theta energy: 2.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -78.548686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.548686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.548686 (E_RNA)
where:
Base-Base interactions energy: -28.040
where: short stacking energy: -18.488
Base-Backbone interact. energy: -0.101
local terms energy: -50.408220
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -8.039
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -1.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -225.644328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.644328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.644328 (E_RNA)
where:
Base-Base interactions energy: -149.618
where: short stacking energy: -69.441
Base-Backbone interact. energy: -0.999
local terms energy: -75.027554
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -22.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -215.160492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.160492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.160492 (E_RNA)
where:
Base-Base interactions energy: -148.886
where: short stacking energy: -71.298
Base-Backbone interact. energy: -0.001
local terms energy: -66.273570
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -12.601
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -8.501
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: 3, replica: 4
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -187.079791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.079791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.079791 (E_RNA)
where:
Base-Base interactions energy: -115.589
where: short stacking energy: -55.623
Base-Backbone interact. energy: 0.512
local terms energy: -72.002849
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -15.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -170.918221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.918221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.918221 (E_RNA)
where:
Base-Base interactions energy: -99.577
where: short stacking energy: -59.847
Base-Backbone interact. energy: -0.066
local terms energy: -71.275232
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -16.264
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: 6
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -139.868215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.868215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.868215 (E_RNA)
where:
Base-Base interactions energy: -85.642
where: short stacking energy: -41.554
Base-Backbone interact. energy: -0.087
local terms energy: -54.139497
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -9.216
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -9.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -138.787926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.787926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.787926 (E_RNA)
where:
Base-Base interactions energy: -77.129
where: short stacking energy: -43.518
Base-Backbone interact. energy: -0.048
local terms energy: -61.610782
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -12.267
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -7.222
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: 225
Temperature: 1.200000
Total energy: -97.159338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.159338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.159338 (E_RNA)
where:
Base-Base interactions energy: -43.307
where: short stacking energy: -42.786
Base-Backbone interact. energy: -0.151
local terms energy: -53.702161
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -5.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -80.037588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.037588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.037588 (E_RNA)
where:
Base-Base interactions energy: -32.457
where: short stacking energy: -26.134
Base-Backbone interact. energy: 1.069
local terms energy: -48.649314
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -12.496
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -2.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -84.787754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.787754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.787754 (E_RNA)
where:
Base-Base interactions energy: -32.268
where: short stacking energy: -24.028
Base-Backbone interact. energy: -2.269
local terms energy: -50.250950
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -15.196
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: 1.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -74.020325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.020325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.020325 (E_RNA)
where:
Base-Base interactions energy: -30.169
where: short stacking energy: -21.088
Base-Backbone interact. energy: -0.092
local terms energy: -43.759530
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -6.150
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: 0.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -217.502571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.502571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.502571 (E_RNA)
where:
Base-Base interactions energy: -142.922
where: short stacking energy: -67.466
Base-Backbone interact. energy: -0.203
local terms energy: -74.377911
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -16.872
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -18.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -224.888492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.888492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.888492 (E_RNA)
where:
Base-Base interactions energy: -148.070
where: short stacking energy: -70.841
Base-Backbone interact. energy: -0.004
local terms energy: -76.814167
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -11.875
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: 3, replica: 4
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -171.640695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.640695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.640695 (E_RNA)
where:
Base-Base interactions energy: -106.551
where: short stacking energy: -40.581
Base-Backbone interact. energy: -1.197
local terms energy: -63.893370
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -11.941
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: 4, replica: 3
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -173.136024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.136024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.136024 (E_RNA)
where:
Base-Base interactions energy: -108.544
where: short stacking energy: -45.987
Base-Backbone interact. energy: -1.158
local terms energy: -63.434447
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -9.995
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: 5, replica: 2
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -153.225755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.225755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.225755 (E_RNA)
where:
Base-Base interactions energy: -93.859
where: short stacking energy: -36.551
Base-Backbone interact. energy: -0.221
local terms energy: -59.146269
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -10.792
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -8.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -139.436472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.436472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.436472 (E_RNA)
where:
Base-Base interactions energy: -85.193
where: short stacking energy: -47.029
Base-Backbone interact. energy: -2.091
local terms energy: -52.152131
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -12.798
flat angles C4'-P-C4' energy: -9.953
flat angles P-C4'-P energy: -5.146
tors. eta vs tors. theta energy: -9.154
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: 9
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -100.154176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.154176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.154176 (E_RNA)
where:
Base-Base interactions energy: -46.419
where: short stacking energy: -30.845
Base-Backbone interact. energy: -0.083
local terms energy: -53.651836
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -5.369
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: 8, replica: 8
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -108.028872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.028872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.028872 (E_RNA)
where:
Base-Base interactions energy: -57.466
where: short stacking energy: -32.010
Base-Backbone interact. energy: -0.038
local terms energy: -50.524497
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -2.317
tors. eta vs tors. theta energy: -2.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -109.874919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.874919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.874919 (E_RNA)
where:
Base-Base interactions energy: -59.888
where: short stacking energy: -38.697
Base-Backbone interact. energy: -0.207
local terms energy: -49.779415
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -3.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -74.205735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.205735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.205735 (E_RNA)
where:
Base-Base interactions energy: -29.782
where: short stacking energy: -29.782
Base-Backbone interact. energy: -0.158
local terms energy: -44.266152
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -10.043
flat angles P-C4'-P energy: -5.747
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: 7
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -217.538779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.538779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.538779 (E_RNA)
where:
Base-Base interactions energy: -145.484
where: short stacking energy: -68.148
Base-Backbone interact. energy: -0.031
local terms energy: -72.023830
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -17.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -218.697475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.697475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.697475 (E_RNA)
where:
Base-Base interactions energy: -146.098
where: short stacking energy: -72.403
Base-Backbone interact. energy: -0.096
local terms energy: -72.503466
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -21.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -192.169086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.169086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.169086 (E_RNA)
where:
Base-Base interactions energy: -123.356
where: short stacking energy: -63.710
Base-Backbone interact. energy: -0.089
local terms energy: -68.724065
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -9.730
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: 4, replica: 2
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -174.212349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.212349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.212349 (E_RNA)
where:
Base-Base interactions energy: -114.833
where: short stacking energy: -58.611
Base-Backbone interact. energy: 0.389
local terms energy: -59.768258
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -12.343
flat angles P-C4'-P energy: -6.390
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: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -164.528365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.528365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.528365 (E_RNA)
where:
Base-Base interactions energy: -98.141
where: short stacking energy: -42.749
Base-Backbone interact. energy: -0.079
local terms energy: -66.308568
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -10.055
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: 9
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -129.757805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.757805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.757805 (E_RNA)
where:
Base-Base interactions energy: -74.428
where: short stacking energy: -43.308
Base-Backbone interact. energy: -0.131
local terms energy: -55.198866
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -6.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -136.641819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.641819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.641819 (E_RNA)
where:
Base-Base interactions energy: -82.750
where: short stacking energy: -39.238
Base-Backbone interact. energy: -0.005
local terms energy: -53.886589
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -4.722
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -9.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -90.539306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.539306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.539306 (E_RNA)
where:
Base-Base interactions energy: -39.045
where: short stacking energy: -39.045
Base-Backbone interact. energy: -0.763
local terms energy: -50.730816
where:
bonds (distance) C4'-P energy: -8.331
bonds (distance) P-C4' energy: -11.280
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -9.205
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: 9, replica: 8
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -88.245660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.245660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.245660 (E_RNA)
where:
Base-Base interactions energy: -44.246
where: short stacking energy: -44.246
Base-Backbone interact. energy: -0.134
local terms energy: -43.866045
where:
bonds (distance) C4'-P energy: -7.727
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -2.143
tors. eta vs tors. theta energy: -10.060
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: 5
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -72.457906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.457906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.457906 (E_RNA)
where:
Base-Base interactions energy: -23.942
where: short stacking energy: -23.942
Base-Backbone interact. energy: 0.926
local terms energy: -49.441610
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -4.613
tors. eta vs tors. theta energy: -4.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -219.646881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.646881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.646881 (E_RNA)
where:
Base-Base interactions energy: -147.801
where: short stacking energy: -69.863
Base-Backbone interact. energy: -0.009
local terms energy: -71.836653
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -21.703
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: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -219.186069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.186069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.186069 (E_RNA)
where:
Base-Base interactions energy: -147.705
where: short stacking energy: -64.795
Base-Backbone interact. energy: -0.670
local terms energy: -70.811321
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -17.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -185.783799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.783799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.783799 (E_RNA)
where:
Base-Base interactions energy: -122.362
where: short stacking energy: -60.902
Base-Backbone interact. energy: -0.398
local terms energy: -63.024572
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -11.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -190.772636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.772636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.772636 (E_RNA)
where:
Base-Base interactions energy: -122.718
where: short stacking energy: -74.404
Base-Backbone interact. energy: -0.032
local terms energy: -68.022784
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -17.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -174.103615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.103615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.103615 (E_RNA)
where:
Base-Base interactions energy: -107.482
where: short stacking energy: -50.247
Base-Backbone interact. energy: -0.299
local terms energy: -66.322521
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -4.612
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: 6, replica: 9
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -88.888128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.888128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.888128 (E_RNA)
where:
Base-Base interactions energy: -42.710
where: short stacking energy: -26.868
Base-Backbone interact. energy: -0.627
local terms energy: -45.550572
where:
bonds (distance) C4'-P energy: -8.306
bonds (distance) P-C4' energy: -12.590
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -0.881
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: 228
Temperature: 1.200000
Total energy: -121.433027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.433027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.433027 (E_RNA)
where:
Base-Base interactions energy: -70.442
where: short stacking energy: -39.836
Base-Backbone interact. energy: -0.116
local terms energy: -50.875592
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -8.962
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -7.484
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: 8, replica: 10
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -95.397961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.397961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.397961 (E_RNA)
where:
Base-Base interactions energy: -39.083
where: short stacking energy: -39.083
Base-Backbone interact. energy: -0.883
local terms energy: -55.432010
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -8.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -87.265185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.265185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.265185 (E_RNA)
where:
Base-Base interactions energy: -47.063
where: short stacking energy: -35.023
Base-Backbone interact. energy: -0.104
local terms energy: -40.098004
where:
bonds (distance) C4'-P energy: -7.040
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: -2.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -91.591612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.591612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.591612 (E_RNA)
where:
Base-Base interactions energy: -31.722
where: short stacking energy: -16.209
Base-Backbone interact. energy: -0.188
local terms energy: -59.682137
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -15.137
tors. eta vs tors. theta energy: 0.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -219.297184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.297184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.297184 (E_RNA)
where:
Base-Base interactions energy: -146.457
where: short stacking energy: -64.096
Base-Backbone interact. energy: -0.041
local terms energy: -72.799029
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -11.907
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: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -218.558725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.558725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.558725 (E_RNA)
where:
Base-Base interactions energy: -146.090
where: short stacking energy: -60.476
Base-Backbone interact. energy: -0.090
local terms energy: -72.378570
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -170.092269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.092269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.092269 (E_RNA)
where:
Base-Base interactions energy: -103.947
where: short stacking energy: -51.600
Base-Backbone interact. energy: -0.021
local terms energy: -66.124030
where:
bonds (distance) C4'-P energy: -10.612
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -15.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -179.205207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.205207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.205207 (E_RNA)
where:
Base-Base interactions energy: -109.613
where: short stacking energy: -55.233
Base-Backbone interact. energy: -0.205
local terms energy: -69.387094
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -16.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -167.972446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.972446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.972446 (E_RNA)
where:
Base-Base interactions energy: -100.198
where: short stacking energy: -59.213
Base-Backbone interact. energy: -0.075
local terms energy: -67.700335
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -10.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -133.817097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.817097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.817097 (E_RNA)
where:
Base-Base interactions energy: -70.312
where: short stacking energy: -45.734
Base-Backbone interact. energy: -0.914
local terms energy: -62.591667
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -9.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -85.288026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.288026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.288026 (E_RNA)
where:
Base-Base interactions energy: -30.156
where: short stacking energy: -28.444
Base-Backbone interact. energy: 0.106
local terms energy: -55.237690
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -9.906
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: 8, replica: 10
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -89.609237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.609237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.609237 (E_RNA)
where:
Base-Base interactions energy: -39.009
where: short stacking energy: -36.820
Base-Backbone interact. energy: -0.758
local terms energy: -49.842244
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -5.338
tors. eta vs tors. theta energy: -5.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -85.697296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.697296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.697296 (E_RNA)
where:
Base-Base interactions energy: -30.735
where: short stacking energy: -30.735
Base-Backbone interact. energy: -0.188
local terms energy: -54.773668
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -9.861
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -4.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -76.941192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.941192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.941192 (E_RNA)
where:
Base-Base interactions energy: -38.373
where: short stacking energy: -16.749
Base-Backbone interact. energy: -0.372
local terms energy: -38.195693
where:
bonds (distance) C4'-P energy: -7.901
bonds (distance) P-C4' energy: -11.900
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -5.339
tors. eta vs tors. theta energy: 0.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -228.548271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.548271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.548271 (E_RNA)
where:
Base-Base interactions energy: -154.923
where: short stacking energy: -66.502
Base-Backbone interact. energy: -0.006
local terms energy: -73.619269
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -11.406
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: 2, replica: 7
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -221.240790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.240790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.240790 (E_RNA)
where:
Base-Base interactions energy: -145.348
where: short stacking energy: -72.325
Base-Backbone interact. energy: -0.012
local terms energy: -75.880787
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -18.520
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: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -187.700882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.700882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.700882 (E_RNA)
where:
Base-Base interactions energy: -118.036
where: short stacking energy: -63.122
Base-Backbone interact. energy: -0.127
local terms energy: -69.537502
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -14.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -156.228008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.228008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.228008 (E_RNA)
where:
Base-Base interactions energy: -90.584
where: short stacking energy: -52.282
Base-Backbone interact. energy: -0.033
local terms energy: -65.610987
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -10.719
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: 5, replica: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -164.228946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.228946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.228946 (E_RNA)
where:
Base-Base interactions energy: -99.606
where: short stacking energy: -58.128
Base-Backbone interact. energy: -0.224
local terms energy: -64.398810
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: -17.951
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: 6
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -145.308502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.308502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.308502 (E_RNA)
where:
Base-Base interactions energy: -85.797
where: short stacking energy: -43.087
Base-Backbone interact. energy: -1.156
local terms energy: -58.355674
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -9.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -96.316318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.316318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.316318 (E_RNA)
where:
Base-Base interactions energy: -36.717
where: short stacking energy: -36.717
Base-Backbone interact. energy: -0.024
local terms energy: -59.575046
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -14.840
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -7.251
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: 230
Temperature: 1.250000
Total energy: -79.533928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.533928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.533928 (E_RNA)
where:
Base-Base interactions energy: -38.976
where: short stacking energy: -37.544
Base-Backbone interact. energy: -0.080
local terms energy: -40.477598
where:
bonds (distance) C4'-P energy: -6.939
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -10.282
flat angles P-C4'-P energy: -5.480
tors. eta vs tors. theta energy: -4.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -80.797309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.797309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.797309 (E_RNA)
where:
Base-Base interactions energy: -31.922
where: short stacking energy: -31.922
Base-Backbone interact. energy: -0.031
local terms energy: -48.844127
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -10.062
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -7.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -71.997907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.997907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.997907 (E_RNA)
where:
Base-Base interactions energy: -16.781
where: short stacking energy: -17.281
Base-Backbone interact. energy: -0.207
local terms energy: -55.010207
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -1.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -225.603449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.603449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.603449 (E_RNA)
where:
Base-Base interactions energy: -148.862
where: short stacking energy: -68.772
Base-Backbone interact. energy: -0.001
local terms energy: -76.739809
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -20.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -225.925212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.925212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.925212 (E_RNA)
where:
Base-Base interactions energy: -142.438
where: short stacking energy: -64.810
Base-Backbone interact. energy: 0.332
local terms energy: -83.819062
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -13.817
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: 3, replica: 4
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -192.870077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.870077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.870077 (E_RNA)
where:
Base-Base interactions energy: -123.005
where: short stacking energy: -67.767
Base-Backbone interact. energy: 0.257
local terms energy: -70.122411
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -16.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -176.993576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.993576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.993576 (E_RNA)
where:
Base-Base interactions energy: -109.371
where: short stacking energy: -64.323
Base-Backbone interact. energy: -0.170
local terms energy: -67.452573
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -9.889
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -18.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -165.183266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.183266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.183266 (E_RNA)
where:
Base-Base interactions energy: -103.698
where: short stacking energy: -58.292
Base-Backbone interact. energy: 2.242
local terms energy: -63.727170
where:
bonds (distance) C4'-P energy: -9.240
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -14.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -160.299467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.299467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.299467 (E_RNA)
where:
Base-Base interactions energy: -92.764
where: short stacking energy: -46.419
Base-Backbone interact. energy: -0.298
local terms energy: -67.237759
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -6.378
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: 7, replica: 10
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -92.676197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.676197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.676197 (E_RNA)
where:
Base-Base interactions energy: -40.756
where: short stacking energy: -27.015
Base-Backbone interact. energy: -0.088
local terms energy: -51.832358
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -1.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -76.939338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.939338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.939338 (E_RNA)
where:
Base-Base interactions energy: -26.580
where: short stacking energy: -26.580
Base-Backbone interact. energy: -0.325
local terms energy: -50.034028
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -7.222
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: 9
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -95.570056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.570056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.570056 (E_RNA)
where:
Base-Base interactions energy: -45.813
where: short stacking energy: -32.182
Base-Backbone interact. energy: -0.086
local terms energy: -49.671644
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -6.295
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -5.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -90.578211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.578211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.578211 (E_RNA)
where:
Base-Base interactions energy: -38.164
where: short stacking energy: -28.166
Base-Backbone interact. energy: -0.087
local terms energy: -52.326675
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -4.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -225.677668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.677668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.677668 (E_RNA)
where:
Base-Base interactions energy: -151.402
where: short stacking energy: -76.668
Base-Backbone interact. energy: -0.012
local terms energy: -74.263607
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -5.565
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: 2, replica: 1
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -210.603586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.603586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.603586 (E_RNA)
where:
Base-Base interactions energy: -132.545
where: short stacking energy: -58.749
Base-Backbone interact. energy: -0.080
local terms energy: -77.979187
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -12.894
tors. eta vs tors. theta energy: -15.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -183.560612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.560612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.560612 (E_RNA)
where:
Base-Base interactions energy: -112.511
where: short stacking energy: -62.610
Base-Backbone interact. energy: -0.008
local terms energy: -71.041410
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -14.215
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: 3
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -176.912685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.912685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.912685 (E_RNA)
where:
Base-Base interactions energy: -113.442
where: short stacking energy: -51.888
Base-Backbone interact. energy: -1.474
local terms energy: -61.996545
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: -16.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -150.127797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.127797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.127797 (E_RNA)
where:
Base-Base interactions energy: -90.665
where: short stacking energy: -50.975
Base-Backbone interact. energy: -0.080
local terms energy: -59.382785
where:
bonds (distance) C4'-P energy: -8.422
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -12.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -185.584287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.584287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.584287 (E_RNA)
where:
Base-Base interactions energy: -116.262
where: short stacking energy: -53.869
Base-Backbone interact. energy: -0.056
local terms energy: -69.266923
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -16.171
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: 7, replica: 8
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -108.667920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.667920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.667920 (E_RNA)
where:
Base-Base interactions energy: -46.039
where: short stacking energy: -43.940
Base-Backbone interact. energy: -0.070
local terms energy: -62.558859
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -12.849
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: 10
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -91.611258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.611258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.611258 (E_RNA)
where:
Base-Base interactions energy: -33.734
where: short stacking energy: -33.734
Base-Backbone interact. energy: -0.116
local terms energy: -57.761114
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -13.667
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -5.712
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: 5
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -90.724475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.724475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.724475 (E_RNA)
where:
Base-Base interactions energy: -41.176
where: short stacking energy: -29.858
Base-Backbone interact. energy: 0.139
local terms energy: -49.687920
where:
bonds (distance) C4'-P energy: -7.312
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -5.329
tors. eta vs tors. theta energy: -3.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -76.245579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.245579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.245579 (E_RNA)
where:
Base-Base interactions energy: -32.960
where: short stacking energy: -23.257
Base-Backbone interact. energy: -0.776
local terms energy: -42.509688
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -9.389
flat angles P-C4'-P energy: -6.082
tors. eta vs tors. theta energy: 0.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -223.538832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.538832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.538832 (E_RNA)
where:
Base-Base interactions energy: -149.966
where: short stacking energy: -57.080
Base-Backbone interact. energy: -1.292
local terms energy: -72.280649
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -19.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -223.287516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.287516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.287516 (E_RNA)
where:
Base-Base interactions energy: -147.081
where: short stacking energy: -68.496
Base-Backbone interact. energy: -1.172
local terms energy: -75.035341
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -19.536
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: 4
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -171.196227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.196227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.196227 (E_RNA)
where:
Base-Base interactions energy: -101.072
where: short stacking energy: -58.645
Base-Backbone interact. energy: -0.000
local terms energy: -70.124027
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -18.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -157.535679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.535679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.535679 (E_RNA)
where:
Base-Base interactions energy: -96.290
where: short stacking energy: -59.689
Base-Backbone interact. energy: 0.641
local terms energy: -61.886078
where:
bonds (distance) C4'-P energy: -7.898
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -13.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -157.528214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.528214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.528214 (E_RNA)
where:
Base-Base interactions energy: -97.280
where: short stacking energy: -46.131
Base-Backbone interact. energy: 2.229
local terms energy: -62.477717
where:
bonds (distance) C4'-P energy: -9.887
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -13.652
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: 233
Temperature: 1.150000
Total energy: -161.510199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.510199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.510199 (E_RNA)
where:
Base-Base interactions energy: -91.131
where: short stacking energy: -49.207
Base-Backbone interact. energy: -0.007
local terms energy: -70.371946
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -11.627
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -10.246
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: 7, replica: 8
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -103.369993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.369993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.369993 (E_RNA)
where:
Base-Base interactions energy: -43.777
where: short stacking energy: -43.777
Base-Backbone interact. energy: -0.118
local terms energy: -59.475139
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -8.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -86.660649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.660649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.660649 (E_RNA)
where:
Base-Base interactions energy: -43.176
where: short stacking energy: -35.190
Base-Backbone interact. energy: -0.194
local terms energy: -43.291547
where:
bonds (distance) C4'-P energy: -9.980
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: 0.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -91.482452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.482452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.482452 (E_RNA)
where:
Base-Base interactions energy: -38.938
where: short stacking energy: -34.804
Base-Backbone interact. energy: -0.120
local terms energy: -52.424423
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -9.019
flat angles P-C4'-P energy: -6.030
tors. eta vs tors. theta energy: -9.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -73.178437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.178437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.178437 (E_RNA)
where:
Base-Base interactions energy: -30.658
where: short stacking energy: -16.222
Base-Backbone interact. energy: -0.129
local terms energy: -42.390916
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -2.012
tors. eta vs tors. theta energy: -0.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -225.041777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.041777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.041777 (E_RNA)
where:
Base-Base interactions energy: -142.368
where: short stacking energy: -67.642
Base-Backbone interact. energy: -0.122
local terms energy: -82.551478
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -18.761
flat angles P-C4'-P energy: -13.947
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: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -217.640996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.640996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.640996 (E_RNA)
where:
Base-Base interactions energy: -139.489
where: short stacking energy: -64.729
Base-Backbone interact. energy: -0.010
local terms energy: -78.142106
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -12.894
tors. eta vs tors. theta energy: -18.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -169.889904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.889904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.889904 (E_RNA)
where:
Base-Base interactions energy: -110.437
where: short stacking energy: -49.575
Base-Backbone interact. energy: -0.021
local terms energy: -59.431478
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -9.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -160.488740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.488740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.488740 (E_RNA)
where:
Base-Base interactions energy: -98.093
where: short stacking energy: -60.425
Base-Backbone interact. energy: -0.019
local terms energy: -62.376347
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -12.628
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -10.770
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: 3
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -150.887486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.887486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.887486 (E_RNA)
where:
Base-Base interactions energy: -93.695
where: short stacking energy: -46.189
Base-Backbone interact. energy: -0.135
local terms energy: -57.057532
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -5.538
tors. eta vs tors. theta energy: -8.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -156.285268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.285268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.285268 (E_RNA)
where:
Base-Base interactions energy: -91.695
where: short stacking energy: -56.743
Base-Backbone interact. energy: -0.002
local terms energy: -64.587794
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -11.295
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -15.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -98.909891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.909891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.909891 (E_RNA)
where:
Base-Base interactions energy: -40.841
where: short stacking energy: -26.176
Base-Backbone interact. energy: -0.308
local terms energy: -57.761278
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -6.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -95.684232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.684232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.684232 (E_RNA)
where:
Base-Base interactions energy: -47.699
where: short stacking energy: -32.256
Base-Backbone interact. energy: -0.633
local terms energy: -47.352320
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -8.554
flat angles P-C4'-P energy: -6.400
tors. eta vs tors. theta energy: -1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -81.077429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.077429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.077429 (E_RNA)
where:
Base-Base interactions energy: -38.333
where: short stacking energy: -32.852
Base-Backbone interact. energy: -0.115
local terms energy: -42.629307
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -7.784
flat angles C4'-P-C4' energy: -9.939
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -0.713
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: 10
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -80.389746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.389746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.389746 (E_RNA)
where:
Base-Base interactions energy: -26.012
where: short stacking energy: -21.874
Base-Backbone interact. energy: -0.015
local terms energy: -54.363334
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -1.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -223.762851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.762851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.762851 (E_RNA)
where:
Base-Base interactions energy: -140.092
where: short stacking energy: -70.522
Base-Backbone interact. energy: -0.005
local terms energy: -83.665185
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -21.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -222.193057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.193057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.193057 (E_RNA)
where:
Base-Base interactions energy: -148.304
where: short stacking energy: -68.585
Base-Backbone interact. energy: -0.027
local terms energy: -73.861525
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -8.191
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: 3, replica: 2
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -175.035062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.035062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.035062 (E_RNA)
where:
Base-Base interactions energy: -108.173
where: short stacking energy: -53.307
Base-Backbone interact. energy: -0.114
local terms energy: -66.747696
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -13.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -164.856951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.856951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.856951 (E_RNA)
where:
Base-Base interactions energy: -94.697
where: short stacking energy: -57.065
Base-Backbone interact. energy: -0.261
local terms energy: -69.899222
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -12.027
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -16.338
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: 4
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -162.442373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.442373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.442373 (E_RNA)
where:
Base-Base interactions energy: -100.373
where: short stacking energy: -37.747
Base-Backbone interact. energy: -0.424
local terms energy: -61.645608
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -7.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -133.975437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.975437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.975437 (E_RNA)
where:
Base-Base interactions energy: -74.888
where: short stacking energy: -38.885
Base-Backbone interact. energy: -0.384
local terms energy: -58.703740
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -10.098
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: 7, replica: 8
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -91.774606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.774606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.774606 (E_RNA)
where:
Base-Base interactions energy: -39.690
where: short stacking energy: -32.488
Base-Backbone interact. energy: -0.002
local terms energy: -52.082522
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -9.389
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -4.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -85.935630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.935630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.935630 (E_RNA)
where:
Base-Base interactions energy: -33.787
where: short stacking energy: -30.854
Base-Backbone interact. energy: -0.033
local terms energy: -52.115452
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -11.386
flat angles P-C4'-P energy: -3.306
tors. eta vs tors. theta energy: -7.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -92.096949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.096949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.096949 (E_RNA)
where:
Base-Base interactions energy: -35.566
where: short stacking energy: -35.566
Base-Backbone interact. energy: -0.011
local terms energy: -56.520879
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -6.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -83.289514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.289514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.289514 (E_RNA)
where:
Base-Base interactions energy: -32.680
where: short stacking energy: -32.680
Base-Backbone interact. energy: -0.196
local terms energy: -50.412902
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -10.721
flat angles P-C4'-P energy: -5.434
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: 1, replica: 1
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -230.152190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.152190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.152190 (E_RNA)
where:
Base-Base interactions energy: -145.249
where: short stacking energy: -71.691
Base-Backbone interact. energy: -0.033
local terms energy: -84.870528
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -20.805
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: 2, replica: 7
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -220.504158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.504158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.504158 (E_RNA)
where:
Base-Base interactions energy: -142.959
where: short stacking energy: -68.670
Base-Backbone interact. energy: 0.987
local terms energy: -78.532163
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -20.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -196.327057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.327057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.327057 (E_RNA)
where:
Base-Base interactions energy: -121.392
where: short stacking energy: -68.285
Base-Backbone interact. energy: -0.003
local terms energy: -74.932115
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -22.256
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: 236
Temperature: 1.050000
Total energy: -167.241167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.241167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.241167 (E_RNA)
where:
Base-Base interactions energy: -104.363
where: short stacking energy: -41.732
Base-Backbone interact. energy: -0.264
local terms energy: -62.614262
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -5.838
tors. eta vs tors. theta energy: -14.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -183.367458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.367458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.367458 (E_RNA)
where:
Base-Base interactions energy: -117.282
where: short stacking energy: -62.105
Base-Backbone interact. energy: 0.056
local terms energy: -66.141334
where:
bonds (distance) C4'-P energy: -8.228
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -16.661
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: 6, replica: 6
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -98.948082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.948082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.948082 (E_RNA)
where:
Base-Base interactions energy: -38.235
where: short stacking energy: -35.998
Base-Backbone interact. energy: -0.032
local terms energy: -60.680569
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -12.016
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -6.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -93.971839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.971839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.971839 (E_RNA)
where:
Base-Base interactions energy: -27.909
where: short stacking energy: -26.460
Base-Backbone interact. energy: -0.076
local terms energy: -65.987298
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -7.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -92.691847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.691847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.691847 (E_RNA)
where:
Base-Base interactions energy: -33.117
where: short stacking energy: -29.868
Base-Backbone interact. energy: -0.015
local terms energy: -59.559794
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -10.636
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -9.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -81.687249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.687249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.687249 (E_RNA)
where:
Base-Base interactions energy: -34.081
where: short stacking energy: -32.444
Base-Backbone interact. energy: -0.295
local terms energy: -47.310834
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -5.011
tors. eta vs tors. theta energy: -4.138
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: 10, replica: 9
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -85.738023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.738023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.738023 (E_RNA)
where:
Base-Base interactions energy: -38.206
where: short stacking energy: -36.614
Base-Backbone interact. energy: -0.109
local terms energy: -47.422306
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -6.872
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -6.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -215.256970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.256970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.256970 (E_RNA)
where:
Base-Base interactions energy: -143.515
where: short stacking energy: -57.562
Base-Backbone interact. energy: -0.167
local terms energy: -71.574721
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -16.697
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -17.207
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: 7
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -221.889998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.889998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.889998 (E_RNA)
where:
Base-Base interactions energy: -143.581
where: short stacking energy: -74.083
Base-Backbone interact. energy: -0.001
local terms energy: -78.308434
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -19.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -174.991562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.991562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.991562 (E_RNA)
where:
Base-Base interactions energy: -98.299
where: short stacking energy: -54.419
Base-Backbone interact. energy: -0.019
local terms energy: -76.673713
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -13.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -188.318783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.318783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.318783 (E_RNA)
where:
Base-Base interactions energy: -117.133
where: short stacking energy: -58.551
Base-Backbone interact. energy: -0.453
local terms energy: -70.732375
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -14.670
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: 5, replica: 4
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -166.259718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.259718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.259718 (E_RNA)
where:
Base-Base interactions energy: -103.368
where: short stacking energy: -50.114
Base-Backbone interact. energy: 0.038
local terms energy: -62.930357
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -9.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -113.339406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.339406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.339406 (E_RNA)
where:
Base-Base interactions energy: -53.390
where: short stacking energy: -41.842
Base-Backbone interact. energy: -0.141
local terms energy: -59.808484
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -6.641
tors. eta vs tors. theta energy: -10.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -91.165378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.165378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.165378 (E_RNA)
where:
Base-Base interactions energy: -34.503
where: short stacking energy: -34.503
Base-Backbone interact. energy: -0.029
local terms energy: -56.632804
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -8.218
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -6.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -93.816956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.816956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.816956 (E_RNA)
where:
Base-Base interactions energy: -40.518
where: short stacking energy: -36.462
Base-Backbone interact. energy: -0.248
local terms energy: -53.051353
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -9.774
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -3.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -102.390283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.390283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.390283 (E_RNA)
where:
Base-Base interactions energy: -39.725
where: short stacking energy: -38.727
Base-Backbone interact. energy: -1.729
local terms energy: -60.936327
where:
bonds (distance) C4'-P energy: -12.424
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -10.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -83.855531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.855531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.855531 (E_RNA)
where:
Base-Base interactions energy: -30.997
where: short stacking energy: -29.948
Base-Backbone interact. energy: -0.145
local terms energy: -52.713592
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -9.276
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -6.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -214.718108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.718108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.718108 (E_RNA)
where:
Base-Base interactions energy: -140.122
where: short stacking energy: -54.880
Base-Backbone interact. energy: -0.248
local terms energy: -74.348291
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -14.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -213.725305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.725305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.725305 (E_RNA)
where:
Base-Base interactions energy: -135.281
where: short stacking energy: -75.119
Base-Backbone interact. energy: -0.313
local terms energy: -78.130653
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -11.371
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: 3, replica: 2
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -198.666666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.666666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.666666 (E_RNA)
where:
Base-Base interactions energy: -120.696
where: short stacking energy: -66.032
Base-Backbone interact. energy: 0.145
local terms energy: -78.115567
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -21.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -167.582046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.582046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.582046 (E_RNA)
where:
Base-Base interactions energy: -92.770
where: short stacking energy: -54.069
Base-Backbone interact. energy: -0.045
local terms energy: -74.766979
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -16.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -191.861240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.861240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.861240 (E_RNA)
where:
Base-Base interactions energy: -115.944
where: short stacking energy: -67.124
Base-Backbone interact. energy: -1.430
local terms energy: -74.487133
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -12.450
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: 6, replica: 6
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -106.772835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.772835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.772835 (E_RNA)
where:
Base-Base interactions energy: -60.845
where: short stacking energy: -39.874
Base-Backbone interact. energy: -0.156
local terms energy: -45.771959
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -10.109
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -5.525
tors. eta vs tors. theta energy: -5.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -85.079918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.079918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.079918 (E_RNA)
where:
Base-Base interactions energy: -33.175
where: short stacking energy: -28.799
Base-Backbone interact. energy: -0.319
local terms energy: -51.586004
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -11.245
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -7.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -88.190245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.190245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.190245 (E_RNA)
where:
Base-Base interactions energy: -34.972
where: short stacking energy: -35.472
Base-Backbone interact. energy: -0.091
local terms energy: -53.127669
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -9.366
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -6.618
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: 8
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -87.255728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.255728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.255728 (E_RNA)
where:
Base-Base interactions energy: -36.310
where: short stacking energy: -32.299
Base-Backbone interact. energy: -0.121
local terms energy: -50.824515
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -9.974
flat angles C4'-P-C4' energy: -10.480
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -9.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -97.929785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.929785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.929785 (E_RNA)
where:
Base-Base interactions energy: -58.351
where: short stacking energy: -21.739
Base-Backbone interact. energy: 0.615
local terms energy: -40.194085
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -4.161
flat angles C4'-P-C4' energy: -11.179
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -3.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -221.598869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.598869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.598869 (E_RNA)
where:
Base-Base interactions energy: -155.046
where: short stacking energy: -60.739
Base-Backbone interact. energy: -1.487
local terms energy: -65.066611
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -9.340
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: 2, replica: 7
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -215.364949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.364949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.364949 (E_RNA)
where:
Base-Base interactions energy: -143.786
where: short stacking energy: -65.372
Base-Backbone interact. energy: -1.478
local terms energy: -70.101426
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -9.794
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: 2
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -177.105347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.105347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.105347 (E_RNA)
where:
Base-Base interactions energy: -114.273
where: short stacking energy: -52.914
Base-Backbone interact. energy: -0.106
local terms energy: -62.725771
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -10.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -177.381049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.381049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.381049 (E_RNA)
where:
Base-Base interactions energy: -105.866
where: short stacking energy: -52.991
Base-Backbone interact. energy: -0.502
local terms energy: -71.012830
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -10.823
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: 4
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -157.918120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.918120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.918120 (E_RNA)
where:
Base-Base interactions energy: -102.714
where: short stacking energy: -47.413
Base-Backbone interact. energy: -0.524
local terms energy: -54.680756
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -11.173
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -6.605
tors. eta vs tors. theta energy: -9.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -97.485409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.485409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.485409 (E_RNA)
where:
Base-Base interactions energy: -40.952
where: short stacking energy: -36.005
Base-Backbone interact. energy: -0.189
local terms energy: -56.344758
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -11.047
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -5.909
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: 6
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -106.316565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.316565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.316565 (E_RNA)
where:
Base-Base interactions energy: -63.519
where: short stacking energy: -36.594
Base-Backbone interact. energy: -0.104
local terms energy: -42.693288
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -10.100
flat angles P-C4'-P energy: -3.206
tors. eta vs tors. theta energy: -5.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -95.229120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.229120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.229120 (E_RNA)
where:
Base-Base interactions energy: -36.973
where: short stacking energy: -36.316
Base-Backbone interact. energy: 0.638
local terms energy: -58.893483
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -3.936
tors. eta vs tors. theta energy: -13.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -83.482496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.482496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.482496 (E_RNA)
where:
Base-Base interactions energy: -44.403
where: short stacking energy: -30.239
Base-Backbone interact. energy: -0.146
local terms energy: -38.933211
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -1.623
tors. eta vs tors. theta energy: -1.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -72.958262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.958262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.958262 (E_RNA)
where:
Base-Base interactions energy: -27.334
where: short stacking energy: -24.814
Base-Backbone interact. energy: 0.293
local terms energy: -45.916915
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -9.556
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -221.569269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.569269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.569269 (E_RNA)
where:
Base-Base interactions energy: -148.765
where: short stacking energy: -61.552
Base-Backbone interact. energy: -0.541
local terms energy: -72.262600
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -11.057
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -22.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -208.393470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.393470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.393470 (E_RNA)
where:
Base-Base interactions energy: -141.273
where: short stacking energy: -60.327
Base-Backbone interact. energy: -1.615
local terms energy: -65.504932
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -15.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -180.658742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.658742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.658742 (E_RNA)
where:
Base-Base interactions energy: -115.917
where: short stacking energy: -55.479
Base-Backbone interact. energy: -0.029
local terms energy: -64.712716
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -10.673
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: 4, replica: 3
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -175.363522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.363522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.363522 (E_RNA)
where:
Base-Base interactions energy: -107.266
where: short stacking energy: -54.466
Base-Backbone interact. energy: -0.551
local terms energy: -67.546768
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -13.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -102.837676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.837676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.837676 (E_RNA)
where:
Base-Base interactions energy: -47.379
where: short stacking energy: -33.126
Base-Backbone interact. energy: -0.447
local terms energy: -55.011428
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -6.907
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -4.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -156.802826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.802826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.802826 (E_RNA)
where:
Base-Base interactions energy: -92.195
where: short stacking energy: -50.680
Base-Backbone interact. energy: -0.396
local terms energy: -64.212263
where:
bonds (distance) C4'-P energy: -10.185
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -6.749
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: 7, replica: 6
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -101.424379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.424379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.424379 (E_RNA)
where:
Base-Base interactions energy: -43.047
where: short stacking energy: -39.246
Base-Backbone interact. energy: -0.051
local terms energy: -58.325955
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -7.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -93.620268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.620268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.620268 (E_RNA)
where:
Base-Base interactions energy: -35.291
where: short stacking energy: -35.291
Base-Backbone interact. energy: -0.270
local terms energy: -58.059318
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -19.371
flat angles C4'-P-C4' energy: -7.388
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -8.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -76.581821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.581821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.581821 (E_RNA)
where:
Base-Base interactions energy: -28.353
where: short stacking energy: -20.762
Base-Backbone interact. energy: -0.361
local terms energy: -47.867648
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -10.359
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: 1.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -77.832163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.832163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.832163 (E_RNA)
where:
Base-Base interactions energy: -34.241
where: short stacking energy: -29.590
Base-Backbone interact. energy: -0.529
local terms energy: -43.062343
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -10.166
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: -0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -218.897029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.897029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.897029 (E_RNA)
where:
Base-Base interactions energy: -147.877
where: short stacking energy: -60.390
Base-Backbone interact. energy: -0.579
local terms energy: -70.441565
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -6.667
tors. eta vs tors. theta energy: -16.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -205.257731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.257731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.257731 (E_RNA)
where:
Base-Base interactions energy: -133.549
where: short stacking energy: -54.627
Base-Backbone interact. energy: -0.138
local terms energy: -71.570350
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -13.660
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: 3, replica: 2
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -182.613309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.613309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.613309 (E_RNA)
where:
Base-Base interactions energy: -115.190
where: short stacking energy: -54.536
Base-Backbone interact. energy: -1.781
local terms energy: -65.642327
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -14.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -192.556864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.556864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.556864 (E_RNA)
where:
Base-Base interactions energy: -120.618
where: short stacking energy: -59.575
Base-Backbone interact. energy: -0.010
local terms energy: -71.928910
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -20.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -105.884021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.884021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.884021 (E_RNA)
where:
Base-Base interactions energy: -53.681
where: short stacking energy: -53.681
Base-Backbone interact. energy: -0.194
local terms energy: -52.009032
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -3.433
tors. eta vs tors. theta energy: -11.056
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: 4
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -168.277205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.277205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.277205 (E_RNA)
where:
Base-Base interactions energy: -112.267
where: short stacking energy: -54.024
Base-Backbone interact. energy: 0.152
local terms energy: -56.162300
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -10.030
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -12.853
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: 7, replica: 6
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -104.751723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.751723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.751723 (E_RNA)
where:
Base-Base interactions energy: -56.465
where: short stacking energy: -34.759
Base-Backbone interact. energy: -0.137
local terms energy: -48.149670
where:
bonds (distance) C4'-P energy: -10.176
bonds (distance) P-C4' energy: -11.146
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -3.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -141.938917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.938917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.938917 (E_RNA)
where:
Base-Base interactions energy: -89.004
where: short stacking energy: -42.060
Base-Backbone interact. energy: -0.900
local terms energy: -52.034977
where:
bonds (distance) C4'-P energy: -11.222
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -6.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -83.271356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.271356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.271356 (E_RNA)
where:
Base-Base interactions energy: -37.624
where: short stacking energy: -30.826
Base-Backbone interact. energy: -0.106
local terms energy: -45.541502
where:
bonds (distance) C4'-P energy: -6.664
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -9.839
flat angles P-C4'-P energy: -12.249
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: 10, replica: 8
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -71.193979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.193979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.193979 (E_RNA)
where:
Base-Base interactions energy: -24.049
where: short stacking energy: -24.049
Base-Backbone interact. energy: -0.009
local terms energy: -47.135154
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -11.058
flat angles P-C4'-P energy: -6.427
tors. eta vs tors. theta energy: -0.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -222.256883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.256883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.256883 (E_RNA)
where:
Base-Base interactions energy: -146.731
where: short stacking energy: -68.229
Base-Backbone interact. energy: -1.304
local terms energy: -74.221236
where:
bonds (distance) C4'-P energy: -12.262
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -20.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -217.880858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.880858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.880858 (E_RNA)
where:
Base-Base interactions energy: -135.761
where: short stacking energy: -64.251
Base-Backbone interact. energy: -0.010
local terms energy: -82.110566
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -20.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -183.329434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.329434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.329434 (E_RNA)
where:
Base-Base interactions energy: -112.180
where: short stacking energy: -53.641
Base-Backbone interact. energy: -0.646
local terms energy: -70.503799
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -15.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -185.757442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.757442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.757442 (E_RNA)
where:
Base-Base interactions energy: -114.333
where: short stacking energy: -54.850
Base-Backbone interact. energy: -0.580
local terms energy: -70.844434
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -5.620
tors. eta vs tors. theta energy: -20.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -178.167763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.167763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.167763 (E_RNA)
where:
Base-Base interactions energy: -118.718
where: short stacking energy: -56.309
Base-Backbone interact. energy: -1.058
local terms energy: -58.391754
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -9.427
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -9.949
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: 10
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -90.511180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.511180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.511180 (E_RNA)
where:
Base-Base interactions energy: -30.922
where: short stacking energy: -25.182
Base-Backbone interact. energy: -0.392
local terms energy: -59.197692
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -9.229
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -8.319
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: 9
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -151.159886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.159886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.159886 (E_RNA)
where:
Base-Base interactions energy: -101.420
where: short stacking energy: -32.595
Base-Backbone interact. energy: -0.155
local terms energy: -49.584887
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -8.994
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -0.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -92.023571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.023571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.023571 (E_RNA)
where:
Base-Base interactions energy: -35.330
where: short stacking energy: -35.107
Base-Backbone interact. energy: -0.186
local terms energy: -56.507737
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -6.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -78.662732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.662732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.662732 (E_RNA)
where:
Base-Base interactions energy: -30.926
where: short stacking energy: -30.607
Base-Backbone interact. energy: -0.064
local terms energy: -47.672804
where:
bonds (distance) C4'-P energy: -8.965
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: 1.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -71.140694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.140694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.140694 (E_RNA)
where:
Base-Base interactions energy: -22.703
where: short stacking energy: -21.993
Base-Backbone interact. energy: -0.766
local terms energy: -47.672100
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: 0.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -224.279138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.279138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.279138 (E_RNA)
where:
Base-Base interactions energy: -143.706
where: short stacking energy: -63.632
Base-Backbone interact. energy: -0.039
local terms energy: -80.533882
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -22.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -212.121440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.121440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.121440 (E_RNA)
where:
Base-Base interactions energy: -136.354
where: short stacking energy: -59.773
Base-Backbone interact. energy: -1.170
local terms energy: -74.598197
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -18.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -206.200276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.200276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.200276 (E_RNA)
where:
Base-Base interactions energy: -132.302
where: short stacking energy: -58.923
Base-Backbone interact. energy: 0.538
local terms energy: -74.436645
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -15.293
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: 243
Temperature: 1.050000
Total energy: -178.356155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.356155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.356155 (E_RNA)
where:
Base-Base interactions energy: -115.917
where: short stacking energy: -35.738
Base-Backbone interact. energy: -0.012
local terms energy: -62.427580
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -12.456
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: 4
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -167.811060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.811060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.811060 (E_RNA)
where:
Base-Base interactions energy: -107.880
where: short stacking energy: -52.434
Base-Backbone interact. energy: -0.096
local terms energy: -59.834528
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -10.130
flat angles C4'-P-C4' energy: -11.048
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -15.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -143.621083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.621083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.621083 (E_RNA)
where:
Base-Base interactions energy: -76.931
where: short stacking energy: -46.669
Base-Backbone interact. energy: -0.507
local terms energy: -66.183451
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -9.402
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: 7, replica: 10
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -104.845579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.845579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.845579 (E_RNA)
where:
Base-Base interactions energy: -46.947
where: short stacking energy: -36.231
Base-Backbone interact. energy: -0.045
local terms energy: -57.853696
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -7.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -88.391381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.391381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.391381 (E_RNA)
where:
Base-Base interactions energy: -30.500
where: short stacking energy: -30.500
Base-Backbone interact. energy: -0.100
local terms energy: -57.791375
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -10.545
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -9.651
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: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -77.143424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.143424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.143424 (E_RNA)
where:
Base-Base interactions energy: -29.835
where: short stacking energy: -22.854
Base-Backbone interact. energy: -0.067
local terms energy: -47.242151
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -11.147
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: 0.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -90.207801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.207801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.207801 (E_RNA)
where:
Base-Base interactions energy: -35.663
where: short stacking energy: -26.613
Base-Backbone interact. energy: -1.593
local terms energy: -52.951921
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -9.582
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -223.777310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.777310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.777310 (E_RNA)
where:
Base-Base interactions energy: -143.576
where: short stacking energy: -66.634
Base-Backbone interact. energy: -0.452
local terms energy: -79.749436
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -19.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -218.515029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.515029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.515029 (E_RNA)
where:
Base-Base interactions energy: -143.876
where: short stacking energy: -68.745
Base-Backbone interact. energy: -0.012
local terms energy: -74.627855
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -21.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -190.007634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.007634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.007634 (E_RNA)
where:
Base-Base interactions energy: -118.398
where: short stacking energy: -62.073
Base-Backbone interact. energy: -0.043
local terms energy: -71.566580
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -16.851
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: 4, replica: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -192.304577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.304577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.304577 (E_RNA)
where:
Base-Base interactions energy: -115.062
where: short stacking energy: -55.139
Base-Backbone interact. energy: -0.966
local terms energy: -76.276511
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -14.146
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: 9
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -157.994446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.994446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.994446 (E_RNA)
where:
Base-Base interactions energy: -93.980
where: short stacking energy: -51.307
Base-Backbone interact. energy: -0.132
local terms energy: -63.882643
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -9.632
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: 6, replica: 4
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -167.616429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.616429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.616429 (E_RNA)
where:
Base-Base interactions energy: -105.223
where: short stacking energy: -57.160
Base-Backbone interact. energy: -0.663
local terms energy: -61.729853
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -10.310
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -13.796
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: 10
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -80.607618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.607618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.607618 (E_RNA)
where:
Base-Base interactions energy: -32.107
where: short stacking energy: -29.760
Base-Backbone interact. energy: -0.109
local terms energy: -48.391008
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -5.483
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: 8, replica: 8
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -113.434200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.434200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.434200 (E_RNA)
where:
Base-Base interactions energy: -62.141
where: short stacking energy: -34.392
Base-Backbone interact. energy: -0.070
local terms energy: -51.222968
where:
bonds (distance) C4'-P energy: -9.864
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -7.898
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -7.388
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: 5
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -91.274177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.274177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.274177 (E_RNA)
where:
Base-Base interactions energy: -37.748
where: short stacking energy: -26.651
Base-Backbone interact. energy: -0.198
local terms energy: -53.328046
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -11.373
flat angles C4'-P-C4' energy: -7.560
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -7.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -79.093343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.093343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.093343 (E_RNA)
where:
Base-Base interactions energy: -33.398
where: short stacking energy: -33.898
Base-Backbone interact. energy: -0.282
local terms energy: -45.413240
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -5.974
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: 1, replica: 1
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -227.124093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.124093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.124093 (E_RNA)
where:
Base-Base interactions energy: -150.543
where: short stacking energy: -67.697
Base-Backbone interact. energy: -0.718
local terms energy: -75.862653
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -11.720
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: 2, replica: 7
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -215.775361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.775361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.775361 (E_RNA)
where:
Base-Base interactions energy: -138.610
where: short stacking energy: -62.166
Base-Backbone interact. energy: -0.202
local terms energy: -76.963383
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -21.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -183.788430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.788430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.788430 (E_RNA)
where:
Base-Base interactions energy: -110.714
where: short stacking energy: -56.819
Base-Backbone interact. energy: -0.025
local terms energy: -73.049462
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -16.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -186.742090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.742090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.742090 (E_RNA)
where:
Base-Base interactions energy: -120.863
where: short stacking energy: -49.610
Base-Backbone interact. energy: -0.038
local terms energy: -65.841322
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -16.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -141.380568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.380568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.380568 (E_RNA)
where:
Base-Base interactions energy: -87.825
where: short stacking energy: -40.655
Base-Backbone interact. energy: -0.700
local terms energy: -52.855252
where:
bonds (distance) C4'-P energy: -9.079
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -6.245
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: 4
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -166.807910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.807910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.807910 (E_RNA)
where:
Base-Base interactions energy: -104.557
where: short stacking energy: -45.940
Base-Backbone interact. energy: 0.030
local terms energy: -62.281510
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -2.806
tors. eta vs tors. theta energy: -14.030
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: 10
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -92.034774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.034774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.034774 (E_RNA)
where:
Base-Base interactions energy: -45.788
where: short stacking energy: -29.551
Base-Backbone interact. energy: -0.197
local terms energy: -46.049586
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -9.059
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: 8, replica: 8
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -133.602583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.602583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.602583 (E_RNA)
where:
Base-Base interactions energy: -80.814
where: short stacking energy: -37.046
Base-Backbone interact. energy: -0.569
local terms energy: -52.219965
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -4.682
tors. eta vs tors. theta energy: -8.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -81.588561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.588561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.588561 (E_RNA)
where:
Base-Base interactions energy: -34.662
where: short stacking energy: -31.831
Base-Backbone interact. energy: 0.303
local terms energy: -47.230265
where:
bonds (distance) C4'-P energy: -9.598
bonds (distance) P-C4' energy: -8.863
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -4.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -84.476335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.476335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.476335 (E_RNA)
where:
Base-Base interactions energy: -40.766
where: short stacking energy: -37.310
Base-Backbone interact. energy: -0.264
local terms energy: -43.445804
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -13.566
flat angles C4'-P-C4' energy: -12.646
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: 1.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -225.198440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.198440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.198440 (E_RNA)
where:
Base-Base interactions energy: -142.730
where: short stacking energy: -68.999
Base-Backbone interact. energy: -1.263
local terms energy: -81.205299
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -21.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -212.354569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.354569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.354569 (E_RNA)
where:
Base-Base interactions energy: -139.694
where: short stacking energy: -66.604
Base-Backbone interact. energy: -0.093
local terms energy: -72.567615
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -9.406
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: 3
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -167.226920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.226920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.226920 (E_RNA)
where:
Base-Base interactions energy: -103.958
where: short stacking energy: -57.804
Base-Backbone interact. energy: -0.433
local terms energy: -62.835549
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -10.423
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: 2
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -189.963160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.963160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.963160 (E_RNA)
where:
Base-Base interactions energy: -119.704
where: short stacking energy: -59.317
Base-Backbone interact. energy: -0.125
local terms energy: -70.133881
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -20.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -189.539196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.539196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.539196 (E_RNA)
where:
Base-Base interactions energy: -120.692
where: short stacking energy: -49.232
Base-Backbone interact. energy: -1.244
local terms energy: -67.602642
where:
bonds (distance) C4'-P energy: -11.116
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -15.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -126.062019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.062019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.062019 (E_RNA)
where:
Base-Base interactions energy: -74.022
where: short stacking energy: -46.895
Base-Backbone interact. energy: -0.989
local terms energy: -51.051817
where:
bonds (distance) C4'-P energy: -9.637
bonds (distance) P-C4' energy: -9.011
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -11.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -101.752809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.752809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.752809 (E_RNA)
where:
Base-Base interactions energy: -53.467
where: short stacking energy: -36.283
Base-Backbone interact. energy: -0.019
local terms energy: -48.267114
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -10.474
flat angles C4'-P-C4' energy: -10.130
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -5.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -76.376789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.376789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.376789 (E_RNA)
where:
Base-Base interactions energy: -30.930
where: short stacking energy: -30.930
Base-Backbone interact. energy: -0.162
local terms energy: -45.285603
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -9.570
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -0.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -82.538622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.538622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.538622 (E_RNA)
where:
Base-Base interactions energy: -36.164
where: short stacking energy: -22.838
Base-Backbone interact. energy: -1.101
local terms energy: -45.274016
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -10.428
flat angles P-C4'-P energy: -6.938
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: 10, replica: 5
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -73.511585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.511585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.511585 (E_RNA)
where:
Base-Base interactions energy: -29.211
where: short stacking energy: -29.088
Base-Backbone interact. energy: -0.153
local terms energy: -44.148029
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -8.385
flat angles C4'-P-C4' energy: -10.883
flat angles P-C4'-P energy: -8.919
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: 1
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -214.920243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.920243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.920243 (E_RNA)
where:
Base-Base interactions energy: -135.602
where: short stacking energy: -60.004
Base-Backbone interact. energy: -1.216
local terms energy: -78.102385
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -16.091
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: 7
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -222.187687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.187687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.187687 (E_RNA)
where:
Base-Base interactions energy: -145.048
where: short stacking energy: -69.472
Base-Backbone interact. energy: -0.072
local terms energy: -77.067445
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -10.045
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: 3
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -186.640270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.640270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.640270 (E_RNA)
where:
Base-Base interactions energy: -125.417
where: short stacking energy: -66.669
Base-Backbone interact. energy: -0.111
local terms energy: -61.111828
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -9.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -175.574332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.574332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.574332 (E_RNA)
where:
Base-Base interactions energy: -110.361
where: short stacking energy: -54.024
Base-Backbone interact. energy: -0.191
local terms energy: -65.022373
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -14.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -176.290272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.290272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.290272 (E_RNA)
where:
Base-Base interactions energy: -110.947
where: short stacking energy: -56.722
Base-Backbone interact. energy: -0.005
local terms energy: -65.338770
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -14.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -91.230659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.230659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.230659 (E_RNA)
where:
Base-Base interactions energy: -34.126
where: short stacking energy: -24.910
Base-Backbone interact. energy: -0.355
local terms energy: -56.748938
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -1.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -101.425654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.425654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.425654 (E_RNA)
where:
Base-Base interactions energy: -50.798
where: short stacking energy: -38.261
Base-Backbone interact. energy: 0.227
local terms energy: -50.854682
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -6.562
tors. eta vs tors. theta energy: -1.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -97.551092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.551092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.551092 (E_RNA)
where:
Base-Base interactions energy: -34.585
where: short stacking energy: -31.500
Base-Backbone interact. energy: -0.010
local terms energy: -62.956775
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -18.201
flat angles C4'-P-C4' energy: -9.771
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -9.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -101.202738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.202738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.202738 (E_RNA)
where:
Base-Base interactions energy: -41.160
where: short stacking energy: -41.160
Base-Backbone interact. energy: -0.018
local terms energy: -60.024988
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -10.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -83.221211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.221211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.221211 (E_RNA)
where:
Base-Base interactions energy: -37.634
where: short stacking energy: -28.087
Base-Backbone interact. energy: -0.667
local terms energy: -44.920593
where:
bonds (distance) C4'-P energy: -8.017
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -8.533
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: 1, replica: 7
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -215.656681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.656681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.656681 (E_RNA)
where:
Base-Base interactions energy: -143.478
where: short stacking energy: -57.840
Base-Backbone interact. energy: 0.046
local terms energy: -72.224404
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -17.419
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: 1
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -214.834936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.834936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.834936 (E_RNA)
where:
Base-Base interactions energy: -146.323
where: short stacking energy: -55.960
Base-Backbone interact. energy: -0.153
local terms energy: -68.358439
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -13.034
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: 3
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -177.329767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.329767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.329767 (E_RNA)
where:
Base-Base interactions energy: -119.421
where: short stacking energy: -63.804
Base-Backbone interact. energy: -0.591
local terms energy: -57.317288
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -7.224
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -8.207
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: 4, replica: 4
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -191.334929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.334929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.334929 (E_RNA)
where:
Base-Base interactions energy: -124.424
where: short stacking energy: -55.819
Base-Backbone interact. energy: 0.094
local terms energy: -67.004977
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -14.067
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: 8
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -105.198795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.198795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.198795 (E_RNA)
where:
Base-Base interactions energy: -48.687
where: short stacking energy: -37.803
Base-Backbone interact. energy: 0.619
local terms energy: -57.131128
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -5.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -148.468410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.468410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.468410 (E_RNA)
where:
Base-Base interactions energy: -90.720
where: short stacking energy: -40.034
Base-Backbone interact. energy: -1.145
local terms energy: -56.603834
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -5.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -112.580941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.580941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.580941 (E_RNA)
where:
Base-Base interactions energy: -49.977
where: short stacking energy: -39.819
Base-Backbone interact. energy: -0.002
local terms energy: -62.601852
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -8.544
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: 248
Temperature: 1.250000
Total energy: -98.014715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.014715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.014715 (E_RNA)
where:
Base-Base interactions energy: -46.423
where: short stacking energy: -42.319
Base-Backbone interact. energy: -1.222
local terms energy: -50.370124
where:
bonds (distance) C4'-P energy: -9.080
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -10.266
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -5.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -76.131252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.131252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.131252 (E_RNA)
where:
Base-Base interactions energy: -23.846
where: short stacking energy: -22.186
Base-Backbone interact. energy: -0.177
local terms energy: -52.108577
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -3.131
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: 10
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -73.554883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.554883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.554883 (E_RNA)
where:
Base-Base interactions energy: -34.388
where: short stacking energy: -31.530
Base-Backbone interact. energy: -0.104
local terms energy: -39.062720
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: 4.115
tors. eta vs tors. theta energy: -3.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -224.485079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.485079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.485079 (E_RNA)
where:
Base-Base interactions energy: -150.171
where: short stacking energy: -65.531
Base-Backbone interact. energy: -0.120
local terms energy: -74.193757
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -18.584
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -19.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -185.887669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.887669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.887669 (E_RNA)
where:
Base-Base interactions energy: -118.519
where: short stacking energy: -68.108
Base-Backbone interact. energy: -0.034
local terms energy: -67.335386
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -10.769
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -15.348
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: 1
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -210.440681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.440681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.440681 (E_RNA)
where:
Base-Base interactions energy: -141.524
where: short stacking energy: -48.833
Base-Backbone interact. energy: -0.060
local terms energy: -68.856611
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -16.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -185.995768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.995768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.995768 (E_RNA)
where:
Base-Base interactions energy: -114.807
where: short stacking energy: -58.405
Base-Backbone interact. energy: -0.063
local terms energy: -71.125917
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -16.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -109.298669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.298669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.298669 (E_RNA)
where:
Base-Base interactions energy: -49.520
where: short stacking energy: -47.658
Base-Backbone interact. energy: -0.148
local terms energy: -59.630536
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -4.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -99.602392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.602392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.602392 (E_RNA)
where:
Base-Base interactions energy: -42.293
where: short stacking energy: -42.293
Base-Backbone interact. energy: -0.001
local terms energy: -57.308080
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -8.563
flat angles P-C4'-P energy: -6.171
tors. eta vs tors. theta energy: -12.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -104.419554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.419554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.419554 (E_RNA)
where:
Base-Base interactions energy: -58.949
where: short stacking energy: -23.331
Base-Backbone interact. energy: -0.571
local terms energy: -44.899925
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -3.857
tors. eta vs tors. theta energy: 3.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -95.125889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.125889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.125889 (E_RNA)
where:
Base-Base interactions energy: -39.284
where: short stacking energy: -37.609
Base-Backbone interact. energy: -0.100
local terms energy: -55.741276
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -6.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -81.686681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.686681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.686681 (E_RNA)
where:
Base-Base interactions energy: -38.569
where: short stacking energy: -30.825
Base-Backbone interact. energy: -0.163
local terms energy: -42.954841
where:
bonds (distance) C4'-P energy: -8.902
bonds (distance) P-C4' energy: -7.762
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: -7.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -76.275640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.275640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.275640 (E_RNA)
where:
Base-Base interactions energy: -30.742
where: short stacking energy: -30.742
Base-Backbone interact. energy: -0.189
local terms energy: -45.344985
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -7.962
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -0.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -197.188401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.188401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.188401 (E_RNA)
where:
Base-Base interactions energy: -125.912
where: short stacking energy: -59.816
Base-Backbone interact. energy: -0.028
local terms energy: -71.248511
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -21.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -219.408754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.408754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.408754 (E_RNA)
where:
Base-Base interactions energy: -143.558
where: short stacking energy: -71.638
Base-Backbone interact. energy: -0.116
local terms energy: -75.735035
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -20.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -209.811298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.811298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.811298 (E_RNA)
where:
Base-Base interactions energy: -140.846
where: short stacking energy: -62.909
Base-Backbone interact. energy: -0.118
local terms energy: -68.847500
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -14.369
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: 4
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -153.365891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.365891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.365891 (E_RNA)
where:
Base-Base interactions energy: -90.743
where: short stacking energy: -50.947
Base-Backbone interact. energy: -0.062
local terms energy: -62.560722
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -7.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -118.398874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.398874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.398874 (E_RNA)
where:
Base-Base interactions energy: -61.483
where: short stacking energy: -40.965
Base-Backbone interact. energy: -0.013
local terms energy: -56.903213
where:
bonds (distance) C4'-P energy: -9.791
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -6.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -94.992476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.992476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.992476 (E_RNA)
where:
Base-Base interactions energy: -48.490
where: short stacking energy: -40.881
Base-Backbone interact. energy: -0.125
local terms energy: -46.377495
where:
bonds (distance) C4'-P energy: -8.039
bonds (distance) P-C4' energy: -11.977
flat angles C4'-P-C4' energy: -9.918
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -6.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -107.492691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.492691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.492691 (E_RNA)
where:
Base-Base interactions energy: -54.104
where: short stacking energy: -33.037
Base-Backbone interact. energy: -0.076
local terms energy: -53.312462
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -14.344
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -5.712
tors. eta vs tors. theta energy: -4.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -92.262191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.262191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.262191 (E_RNA)
where:
Base-Base interactions energy: -40.589
where: short stacking energy: -34.510
Base-Backbone interact. energy: 0.715
local terms energy: -52.388197
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -3.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -90.890066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.890066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.890066 (E_RNA)
where:
Base-Base interactions energy: -45.227
where: short stacking energy: -27.073
Base-Backbone interact. energy: -0.203
local terms energy: -45.460065
where:
bonds (distance) C4'-P energy: -8.075
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -3.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -96.652039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.652039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.652039 (E_RNA)
where:
Base-Base interactions energy: -48.346
where: short stacking energy: -26.451
Base-Backbone interact. energy: 0.263
local terms energy: -48.569172
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -1.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -206.959494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.959494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.959494 (E_RNA)
where:
Base-Base interactions energy: -128.253
where: short stacking energy: -66.001
Base-Backbone interact. energy: -0.066
local terms energy: -78.640489
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -21.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -227.834320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.834320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.834320 (E_RNA)
where:
Base-Base interactions energy: -150.959
where: short stacking energy: -69.124
Base-Backbone interact. energy: -0.080
local terms energy: -76.795363
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -21.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -212.149637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.149637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.149637 (E_RNA)
where:
Base-Base interactions energy: -142.097
where: short stacking energy: -64.789
Base-Backbone interact. energy: -1.260
local terms energy: -68.793071
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -18.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -132.163416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.163416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.163416 (E_RNA)
where:
Base-Base interactions energy: -65.224
where: short stacking energy: -31.770
Base-Backbone interact. energy: -0.059
local terms energy: -66.880816
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -15.161
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -8.272
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: 4
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -162.182983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.182983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.182983 (E_RNA)
where:
Base-Base interactions energy: -97.396
where: short stacking energy: -44.694
Base-Backbone interact. energy: -0.752
local terms energy: -64.034800
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -12.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -128.070100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.070100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.070100 (E_RNA)
where:
Base-Base interactions energy: -80.618
where: short stacking energy: -34.878
Base-Backbone interact. energy: -0.247
local terms energy: -47.204586
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -9.944
flat angles C4'-P-C4' energy: -4.061
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: -13.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -97.926401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.926401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.926401 (E_RNA)
where:
Base-Base interactions energy: -45.057
where: short stacking energy: -39.154
Base-Backbone interact. energy: 0.806
local terms energy: -53.675346
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -4.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -98.669020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.669020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.669020 (E_RNA)
where:
Base-Base interactions energy: -40.885
where: short stacking energy: -34.079
Base-Backbone interact. energy: 0.497
local terms energy: -58.281085
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -8.722
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: 2
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -76.712516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.712516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.712516 (E_RNA)
where:
Base-Base interactions energy: -29.457
where: short stacking energy: -27.189
Base-Backbone interact. energy: -0.118
local terms energy: -47.138000
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -10.201
flat angles P-C4'-P energy: -4.220
tors. eta vs tors. theta energy: -6.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -87.537203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.537203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.537203 (E_RNA)
where:
Base-Base interactions energy: -36.982
where: short stacking energy: -29.216
Base-Backbone interact. energy: -0.096
local terms energy: -50.459017
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -4.497
tors. eta vs tors. theta energy: -5.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -233.573035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.573035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.573035 (E_RNA)
where:
Base-Base interactions energy: -155.840
where: short stacking energy: -72.977
Base-Backbone interact. energy: -0.056
local terms energy: -77.677789
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -21.570
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: 252
Temperature: 0.950000
Total energy: -190.053500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.053500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.053500 (E_RNA)
where:
Base-Base interactions energy: -120.594
where: short stacking energy: -52.247
Base-Backbone interact. energy: -0.002
local terms energy: -69.457792
where:
bonds (distance) C4'-P energy: -9.837
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -16.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -217.979198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.979198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.979198 (E_RNA)
where:
Base-Base interactions energy: -143.363
where: short stacking energy: -73.075
Base-Backbone interact. energy: -0.001
local terms energy: -74.615886
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -7.309
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: 6
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -121.651407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.651407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.651407 (E_RNA)
where:
Base-Base interactions energy: -62.117
where: short stacking energy: -39.470
Base-Backbone interact. energy: 1.183
local terms energy: -60.717036
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -10.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -171.338623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.338623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.338623 (E_RNA)
where:
Base-Base interactions energy: -104.119
where: short stacking energy: -57.002
Base-Backbone interact. energy: -0.019
local terms energy: -67.200697
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -11.010
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -15.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -137.601236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.601236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.601236 (E_RNA)
where:
Base-Base interactions energy: -80.685
where: short stacking energy: -37.842
Base-Backbone interact. energy: 0.801
local terms energy: -57.717761
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -6.915
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: 10
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -88.615861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.615861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.615861 (E_RNA)
where:
Base-Base interactions energy: -35.844
where: short stacking energy: -31.995
Base-Backbone interact. energy: -0.008
local terms energy: -52.763815
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -11.622
flat angles C4'-P-C4' energy: -10.506
flat angles P-C4'-P energy: -5.990
tors. eta vs tors. theta energy: -9.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -95.108244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.108244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.108244 (E_RNA)
where:
Base-Base interactions energy: -52.907
where: short stacking energy: -30.804
Base-Backbone interact. energy: -1.067
local terms energy: -41.133397
where:
bonds (distance) C4'-P energy: -8.882
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -6.393
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -1.048
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: 9, replica: 2
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -95.456420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.456420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.456420 (E_RNA)
where:
Base-Base interactions energy: -37.694
where: short stacking energy: -21.386
Base-Backbone interact. energy: -1.487
local terms energy: -56.274983
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -10.602
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -2.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -80.627653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.627653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.627653 (E_RNA)
where:
Base-Base interactions energy: -34.014
where: short stacking energy: -13.237
Base-Backbone interact. energy: -0.249
local terms energy: -46.364662
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -11.150
flat angles C4'-P-C4' energy: -10.321
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -3.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -232.022495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.022495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.022495 (E_RNA)
where:
Base-Base interactions energy: -152.034
where: short stacking energy: -79.129
Base-Backbone interact. energy: -0.082
local terms energy: -79.906429
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -20.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -221.954028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.954028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.954028 (E_RNA)
where:
Base-Base interactions energy: -146.311
where: short stacking energy: -74.055
Base-Backbone interact. energy: -0.000
local terms energy: -75.642635
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -18.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -195.341984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.341984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.341984 (E_RNA)
where:
Base-Base interactions energy: -128.458
where: short stacking energy: -62.628
Base-Backbone interact. energy: -0.003
local terms energy: -66.880632
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -17.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -194.767858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.767858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.767858 (E_RNA)
where:
Base-Base interactions energy: -127.140
where: short stacking energy: -67.747
Base-Backbone interact. energy: -0.173
local terms energy: -67.454925
where:
bonds (distance) C4'-P energy: -8.318
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -16.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -116.266629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.266629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.266629 (E_RNA)
where:
Base-Base interactions energy: -61.329
where: short stacking energy: -33.931
Base-Backbone interact. energy: -0.647
local terms energy: -54.290549
where:
bonds (distance) C4'-P energy: -12.349
bonds (distance) P-C4' energy: -8.357
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -6.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -115.090849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.090849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.090849 (E_RNA)
where:
Base-Base interactions energy: -62.327
where: short stacking energy: -47.576
Base-Backbone interact. energy: -0.234
local terms energy: -52.529995
where:
bonds (distance) C4'-P energy: -6.535
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -9.876
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: 7, replica: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -127.113211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.113211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.113211 (E_RNA)
where:
Base-Base interactions energy: -72.809
where: short stacking energy: -41.725
Base-Backbone interact. energy: -0.292
local terms energy: -54.012979
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -10.217
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -6.617
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: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -106.961993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.961993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.961993 (E_RNA)
where:
Base-Base interactions energy: -55.950
where: short stacking energy: -33.874
Base-Backbone interact. energy: -0.219
local terms energy: -50.792588
where:
bonds (distance) C4'-P energy: -10.501
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -9.324
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: 2
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -95.106588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.106588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.106588 (E_RNA)
where:
Base-Base interactions energy: -46.185
where: short stacking energy: -27.294
Base-Backbone interact. energy: -0.338
local terms energy: -48.583297
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -9.056
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -75.991107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.991107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.991107 (E_RNA)
where:
Base-Base interactions energy: -35.902
where: short stacking energy: -25.643
Base-Backbone interact. energy: -0.492
local terms energy: -39.597297
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -10.528
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -2.515
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: 1, replica: 1
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -228.556735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.556735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.556735 (E_RNA)
where:
Base-Base interactions energy: -148.541
where: short stacking energy: -68.814
Base-Backbone interact. energy: -0.144
local terms energy: -79.872388
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -15.683
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -11.852
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: 2, replica: 7
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -219.800343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.800343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.800343 (E_RNA)
where:
Base-Base interactions energy: -142.991
where: short stacking energy: -58.124
Base-Backbone interact. energy: -0.560
local terms energy: -76.248940
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -20.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -183.487912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.487912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.487912 (E_RNA)
where:
Base-Base interactions energy: -115.323
where: short stacking energy: -47.432
Base-Backbone interact. energy: -1.872
local terms energy: -66.292704
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -13.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -174.150972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.150972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.150972 (E_RNA)
where:
Base-Base interactions energy: -110.089
where: short stacking energy: -57.022
Base-Backbone interact. energy: -0.215
local terms energy: -63.846627
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -16.459
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: 6
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -142.671732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.671732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.671732 (E_RNA)
where:
Base-Base interactions energy: -85.285
where: short stacking energy: -50.922
Base-Backbone interact. energy: -0.106
local terms energy: -57.281383
where:
bonds (distance) C4'-P energy: -9.558
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -13.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -110.794555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.794555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.794555 (E_RNA)
where:
Base-Base interactions energy: -58.440
where: short stacking energy: -38.386
Base-Backbone interact. energy: -0.220
local terms energy: -52.133894
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -9.708
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -6.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -158.635478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.635478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.635478 (E_RNA)
where:
Base-Base interactions energy: -97.423
where: short stacking energy: -56.298
Base-Backbone interact. energy: -0.471
local terms energy: -60.742356
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -8.395
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -11.323
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: 254
Temperature: 1.250000
Total energy: -87.982027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.982027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.982027 (E_RNA)
where:
Base-Base interactions energy: -33.242
where: short stacking energy: -31.912
Base-Backbone interact. energy: -0.754
local terms energy: -53.986877
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -7.076
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -6.457
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: 2
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -81.136606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.136606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.136606 (E_RNA)
where:
Base-Base interactions energy: -28.332
where: short stacking energy: -28.332
Base-Backbone interact. energy: -0.043
local terms energy: -52.761346
where:
bonds (distance) C4'-P energy: -10.498
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -7.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -77.331336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.331336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.331336 (E_RNA)
where:
Base-Base interactions energy: -27.772
where: short stacking energy: -26.820
Base-Backbone interact. energy: 0.080
local terms energy: -49.639589
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -6.998
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: 1
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -222.505514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.505514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.505514 (E_RNA)
where:
Base-Base interactions energy: -142.931
where: short stacking energy: -69.086
Base-Backbone interact. energy: -0.001
local terms energy: -79.573314
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -19.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -219.021730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.021730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.021730 (E_RNA)
where:
Base-Base interactions energy: -145.161
where: short stacking energy: -66.174
Base-Backbone interact. energy: -0.004
local terms energy: -73.857373
where:
bonds (distance) C4'-P energy: -15.639
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -20.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -188.370499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.370499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.370499 (E_RNA)
where:
Base-Base interactions energy: -116.621
where: short stacking energy: -59.904
Base-Backbone interact. energy: -1.282
local terms energy: -70.468018
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -16.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -151.768569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.768569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.768569 (E_RNA)
where:
Base-Base interactions energy: -82.259
where: short stacking energy: -59.770
Base-Backbone interact. energy: -0.825
local terms energy: -68.684876
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -14.223
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -9.760
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: 5, replica: 3
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -182.095438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.095438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.095438 (E_RNA)
where:
Base-Base interactions energy: -115.058
where: short stacking energy: -63.673
Base-Backbone interact. energy: -0.108
local terms energy: -66.929297
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -10.438
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -15.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -154.918560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.918560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.918560 (E_RNA)
where:
Base-Base interactions energy: -89.849
where: short stacking energy: -52.557
Base-Backbone interact. energy: -0.669
local terms energy: -64.400244
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -9.891
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: 10
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -134.561783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.561783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.561783 (E_RNA)
where:
Base-Base interactions energy: -78.925
where: short stacking energy: -47.951
Base-Backbone interact. energy: -0.519
local terms energy: -55.117929
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -11.766
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -9.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -88.064463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.064463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.064463 (E_RNA)
where:
Base-Base interactions energy: -34.953
where: short stacking energy: -34.953
Base-Backbone interact. energy: -0.579
local terms energy: -52.532730
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -4.096
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: 9, replica: 8
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -92.216032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.216032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.216032 (E_RNA)
where:
Base-Base interactions energy: -31.150
where: short stacking energy: -27.525
Base-Backbone interact. energy: -1.524
local terms energy: -59.542592
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -3.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -73.170711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.170711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.170711 (E_RNA)
where:
Base-Base interactions energy: -21.698
where: short stacking energy: -13.039
Base-Backbone interact. energy: -0.312
local terms energy: -51.161239
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: 4.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -231.610241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.610241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.610241 (E_RNA)
where:
Base-Base interactions energy: -146.750
where: short stacking energy: -70.092
Base-Backbone interact. energy: 0.323
local terms energy: -85.182481
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -13.749
tors. eta vs tors. theta energy: -20.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -214.200578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.200578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.200578 (E_RNA)
where:
Base-Base interactions energy: -145.563
where: short stacking energy: -59.267
Base-Backbone interact. energy: -0.011
local terms energy: -68.626633
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -11.872
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -9.304
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: 3, replica: 4
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -191.845069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.845069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.845069 (E_RNA)
where:
Base-Base interactions energy: -113.786
where: short stacking energy: -66.172
Base-Backbone interact. energy: -0.005
local terms energy: -78.053860
where:
bonds (distance) C4'-P energy: -18.139
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -18.101
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: 4, replica: 6
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -143.670708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.670708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.670708 (E_RNA)
where:
Base-Base interactions energy: -83.453
where: short stacking energy: -52.653
Base-Backbone interact. energy: -0.531
local terms energy: -59.686516
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -11.253
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -11.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -161.261633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.261633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.261633 (E_RNA)
where:
Base-Base interactions energy: -104.172
where: short stacking energy: -60.580
Base-Backbone interact. energy: -0.009
local terms energy: -57.081043
where:
bonds (distance) C4'-P energy: -8.208
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -5.520
tors. eta vs tors. theta energy: -14.975
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: 3
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -170.698726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.698726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.698726 (E_RNA)
where:
Base-Base interactions energy: -106.263
where: short stacking energy: -58.132
Base-Backbone interact. energy: -0.160
local terms energy: -64.275579
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -12.009
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: 2
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -105.432800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.432800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.432800 (E_RNA)
where:
Base-Base interactions energy: -47.918
where: short stacking energy: -36.264
Base-Backbone interact. energy: -0.051
local terms energy: -57.463300
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -10.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -110.364197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.364197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.364197 (E_RNA)
where:
Base-Base interactions energy: -51.089
where: short stacking energy: -30.167
Base-Backbone interact. energy: -0.038
local terms energy: -59.237215
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -7.085
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: 9
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -83.386002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.386002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.386002 (E_RNA)
where:
Base-Base interactions energy: -33.582
where: short stacking energy: -29.513
Base-Backbone interact. energy: -0.228
local terms energy: -49.576356
where:
bonds (distance) C4'-P energy: -17.505
bonds (distance) P-C4' energy: -10.913
flat angles C4'-P-C4' energy: -9.408
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -4.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -86.111158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.111158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.111158 (E_RNA)
where:
Base-Base interactions energy: -43.021
where: short stacking energy: -18.514
Base-Backbone interact. energy: -0.067
local terms energy: -43.022970
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -8.066
flat angles P-C4'-P energy: 0.241
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: 1, replica: 7
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -229.271348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.271348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.271348 (E_RNA)
where:
Base-Base interactions energy: -151.014
where: short stacking energy: -70.910
Base-Backbone interact. energy: -1.373
local terms energy: -76.884141
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -21.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -204.774345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.774345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.774345 (E_RNA)
where:
Base-Base interactions energy: -127.240
where: short stacking energy: -66.499
Base-Backbone interact. energy: -0.288
local terms energy: -77.247031
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -12.951
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: 3, replica: 1
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -215.820930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.820930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.820930 (E_RNA)
where:
Base-Base interactions energy: -142.073
where: short stacking energy: -65.623
Base-Backbone interact. energy: -0.166
local terms energy: -73.581379
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -9.620
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: 5
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -155.197503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.197503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.197503 (E_RNA)
where:
Base-Base interactions energy: -99.235
where: short stacking energy: -41.676
Base-Backbone interact. energy: -0.863
local terms energy: -55.099006
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -6.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -111.711537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.711537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.711537 (E_RNA)
where:
Base-Base interactions energy: -46.376
where: short stacking energy: -45.526
Base-Backbone interact. energy: 0.043
local terms energy: -65.379260
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -10.892
flat angles P-C4'-P energy: -10.008
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: 6, replica: 2
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -96.227715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.227715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.227715 (E_RNA)
where:
Base-Base interactions energy: -43.741
where: short stacking energy: -36.253
Base-Backbone interact. energy: -0.167
local terms energy: -52.319030
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -9.961
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -2.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -174.785086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.785086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.785086 (E_RNA)
where:
Base-Base interactions energy: -108.165
where: short stacking energy: -44.707
Base-Backbone interact. energy: -0.099
local terms energy: -66.521004
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -8.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -89.588081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.588081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.588081 (E_RNA)
where:
Base-Base interactions energy: -37.538
where: short stacking energy: -37.538
Base-Backbone interact. energy: -0.500
local terms energy: -51.550016
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -8.901
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: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -76.409374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.409374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.409374 (E_RNA)
where:
Base-Base interactions energy: -35.437
where: short stacking energy: -35.437
Base-Backbone interact. energy: -0.096
local terms energy: -40.876093
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -8.528
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: 0.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -73.005787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.005787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.005787 (E_RNA)
where:
Base-Base interactions energy: -23.274
where: short stacking energy: -23.274
Base-Backbone interact. energy: -0.039
local terms energy: -49.692703
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -6.636
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -3.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -219.151479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.151479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.151479 (E_RNA)
where:
Base-Base interactions energy: -143.456
where: short stacking energy: -65.440
Base-Backbone interact. energy: -0.003
local terms energy: -75.691886
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -18.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -192.939243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.939243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.939243 (E_RNA)
where:
Base-Base interactions energy: -121.631
where: short stacking energy: -66.127
Base-Backbone interact. energy: -0.111
local terms energy: -71.197323
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -18.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -215.916653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.916653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.916653 (E_RNA)
where:
Base-Base interactions energy: -151.374
where: short stacking energy: -71.322
Base-Backbone interact. energy: -0.191
local terms energy: -64.351737
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -9.410
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: 4, replica: 5
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -178.433994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.433994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.433994 (E_RNA)
where:
Base-Base interactions energy: -109.961
where: short stacking energy: -56.911
Base-Backbone interact. energy: -0.282
local terms energy: -68.190840
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -15.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -120.112748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.112748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.112748 (E_RNA)
where:
Base-Base interactions energy: -58.937
where: short stacking energy: -48.994
Base-Backbone interact. energy: 0.250
local terms energy: -61.425647
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: -10.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -96.393551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.393551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.393551 (E_RNA)
where:
Base-Base interactions energy: -33.988
where: short stacking energy: -29.971
Base-Backbone interact. energy: -1.249
local terms energy: -61.156306
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -5.486
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: 3
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -144.683665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.683665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.683665 (E_RNA)
where:
Base-Base interactions energy: -91.842
where: short stacking energy: -44.688
Base-Backbone interact. energy: -0.432
local terms energy: -52.409657
where:
bonds (distance) C4'-P energy: -10.243
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -4.988
tors. eta vs tors. theta energy: -7.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -89.038083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.038083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.038083 (E_RNA)
where:
Base-Base interactions energy: -41.706
where: short stacking energy: -38.680
Base-Backbone interact. energy: -0.022
local terms energy: -47.310443
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -2.939
tors. eta vs tors. theta energy: -8.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -99.918804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.918804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.918804 (E_RNA)
where:
Base-Base interactions energy: -50.781
where: short stacking energy: -32.740
Base-Backbone interact. energy: 0.798
local terms energy: -49.935677
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -12.452
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -5.307
tors. eta vs tors. theta energy: -6.218
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: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -75.524491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.524491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.524491 (E_RNA)
where:
Base-Base interactions energy: -30.632
where: short stacking energy: -25.904
Base-Backbone interact. energy: 1.456
local terms energy: -46.349319
where:
bonds (distance) C4'-P energy: -7.043
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: 1.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -217.724306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.724306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.724306 (E_RNA)
where:
Base-Base interactions energy: -147.290
where: short stacking energy: -68.453
Base-Backbone interact. energy: -0.055
local terms energy: -70.378927
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -17.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -217.305575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.305575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.305575 (E_RNA)
where:
Base-Base interactions energy: -140.471
where: short stacking energy: -61.137
Base-Backbone interact. energy: -0.086
local terms energy: -76.748300
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -15.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -200.055653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.055653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.055653 (E_RNA)
where:
Base-Base interactions energy: -127.645
where: short stacking energy: -69.961
Base-Backbone interact. energy: -0.091
local terms energy: -72.319959
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -20.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -185.097966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.097966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.097966 (E_RNA)
where:
Base-Base interactions energy: -115.407
where: short stacking energy: -63.283
Base-Backbone interact. energy: -0.275
local terms energy: -69.415921
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -17.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -106.223303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.223303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.223303 (E_RNA)
where:
Base-Base interactions energy: -47.022
where: short stacking energy: -42.003
Base-Backbone interact. energy: -0.046
local terms energy: -59.155857
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -17.895
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -6.641
tors. eta vs tors. theta energy: -7.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -158.903512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.903512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.903512 (E_RNA)
where:
Base-Base interactions energy: -101.857
where: short stacking energy: -45.323
Base-Backbone interact. energy: -0.025
local terms energy: -57.021665
where:
bonds (distance) C4'-P energy: -9.139
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -9.314
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -14.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -85.537436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.537436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.537436 (E_RNA)
where:
Base-Base interactions energy: -31.533
where: short stacking energy: -26.122
Base-Backbone interact. energy: -0.178
local terms energy: -53.825850
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -10.795
flat angles P-C4'-P energy: -10.781
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: 8, replica: 8
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -92.392403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.392403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.392403 (E_RNA)
where:
Base-Base interactions energy: -39.193
where: short stacking energy: -34.791
Base-Backbone interact. energy: -1.344
local terms energy: -51.855393
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -5.980
tors. eta vs tors. theta energy: -5.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -85.216237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.216237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.216237 (E_RNA)
where:
Base-Base interactions energy: -37.285
where: short stacking energy: -37.285
Base-Backbone interact. energy: -0.147
local terms energy: -47.784551
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -2.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -75.805295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.805295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.805295 (E_RNA)
where:
Base-Base interactions energy: -33.670
where: short stacking energy: -33.670
Base-Backbone interact. energy: 1.297
local terms energy: -43.432279
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -8.008
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -1.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -227.302733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.302733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.302733 (E_RNA)
where:
Base-Base interactions energy: -148.179
where: short stacking energy: -73.567
Base-Backbone interact. energy: -0.006
local terms energy: -79.118172
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -19.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -218.895158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.895158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.895158 (E_RNA)
where:
Base-Base interactions energy: -149.265
where: short stacking energy: -53.909
Base-Backbone interact. energy: -0.433
local terms energy: -69.196822
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -2.182
tors. eta vs tors. theta energy: -18.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -174.354152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.354152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.354152 (E_RNA)
where:
Base-Base interactions energy: -112.938
where: short stacking energy: -55.975
Base-Backbone interact. energy: -0.245
local terms energy: -61.170713
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -11.778
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: 4
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -190.748651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.748651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.748651 (E_RNA)
where:
Base-Base interactions energy: -114.812
where: short stacking energy: -51.562
Base-Backbone interact. energy: -0.788
local terms energy: -75.148816
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -16.564
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: 3
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -162.987884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.987884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.987884 (E_RNA)
where:
Base-Base interactions energy: -104.077
where: short stacking energy: -52.690
Base-Backbone interact. energy: -0.034
local terms energy: -58.876832
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -12.650
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -12.147
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: 6, replica: 2
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -103.584571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.584571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.584571 (E_RNA)
where:
Base-Base interactions energy: -50.101
where: short stacking energy: -43.034
Base-Backbone interact. energy: 0.285
local terms energy: -53.768050
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -3.690
tors. eta vs tors. theta energy: -11.301
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: 8
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -137.933489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.933489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.933489 (E_RNA)
where:
Base-Base interactions energy: -81.411
where: short stacking energy: -34.462
Base-Backbone interact. energy: -0.555
local terms energy: -55.967658
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -8.521
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: 6
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -81.825482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.825482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.825482 (E_RNA)
where:
Base-Base interactions energy: -25.066
where: short stacking energy: -24.817
Base-Backbone interact. energy: 0.322
local terms energy: -57.081425
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: 2.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -79.086718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.086718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.086718 (E_RNA)
where:
Base-Base interactions energy: -29.673
where: short stacking energy: -20.475
Base-Backbone interact. energy: -0.195
local terms energy: -49.218930
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -5.127
tors. eta vs tors. theta energy: -3.347
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: 260
Temperature: 1.350000
Total energy: -78.631259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.631259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.631259 (E_RNA)
where:
Base-Base interactions energy: -28.840
where: short stacking energy: -26.706
Base-Backbone interact. energy: -0.265
local terms energy: -49.526112
where:
bonds (distance) C4'-P energy: -9.830
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -1.377
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: 1, replica: 7
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -229.346216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.346216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.346216 (E_RNA)
where:
Base-Base interactions energy: -151.912
where: short stacking energy: -76.252
Base-Backbone interact. energy: -0.009
local terms energy: -77.426026
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -9.957
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: 1
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -224.345149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.345149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.345149 (E_RNA)
where:
Base-Base interactions energy: -152.589
where: short stacking energy: -54.604
Base-Backbone interact. energy: 0.857
local terms energy: -72.613293
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -17.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -179.885201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.885201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.885201 (E_RNA)
where:
Base-Base interactions energy: -115.262
where: short stacking energy: -52.374
Base-Backbone interact. energy: 1.065
local terms energy: -65.688420
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -12.544
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: 261
Temperature: 1.050000
Total energy: -190.256707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.256707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.256707 (E_RNA)
where:
Base-Base interactions energy: -114.190
where: short stacking energy: -56.845
Base-Backbone interact. energy: -0.132
local terms energy: -75.934365
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: -14.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -156.517729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.517729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.517729 (E_RNA)
where:
Base-Base interactions energy: -95.584
where: short stacking energy: -49.611
Base-Backbone interact. energy: -0.056
local terms energy: -60.877885
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -8.246
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: 261
Temperature: 1.150000
Total energy: -148.177887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.177887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.177887 (E_RNA)
where:
Base-Base interactions energy: -95.359
where: short stacking energy: -35.843
Base-Backbone interact. energy: -0.403
local terms energy: -52.415414
where:
bonds (distance) C4'-P energy: -8.216
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -9.127
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: 7, replica: 2
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -99.857929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.857929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.857929 (E_RNA)
where:
Base-Base interactions energy: -39.938
where: short stacking energy: -34.526
Base-Backbone interact. energy: -0.087
local terms energy: -59.832622
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -10.742
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -8.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -91.705271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.705271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.705271 (E_RNA)
where:
Base-Base interactions energy: -36.933
where: short stacking energy: -21.927
Base-Backbone interact. energy: -0.633
local terms energy: -54.139004
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -3.587
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: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -80.565370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.565370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.565370 (E_RNA)
where:
Base-Base interactions energy: -34.378
where: short stacking energy: -34.378
Base-Backbone interact. energy: -0.006
local terms energy: -46.181242
where:
bonds (distance) C4'-P energy: -8.779
bonds (distance) P-C4' energy: -9.744
flat angles C4'-P-C4' energy: -9.103
flat angles P-C4'-P energy: -9.057
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: 10, replica: 9
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -88.166370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.166370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.166370 (E_RNA)
where:
Base-Base interactions energy: -41.739
where: short stacking energy: -32.064
Base-Backbone interact. energy: -0.001
local terms energy: -46.426121
where:
bonds (distance) C4'-P energy: -10.281
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -6.786
tors. eta vs tors. theta energy: -4.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -226.716118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.716118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.716118 (E_RNA)
where:
Base-Base interactions energy: -155.501
where: short stacking energy: -61.598
Base-Backbone interact. energy: -0.371
local terms energy: -70.844092
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -7.701
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: 2, replica: 7
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -217.362816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.362816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.362816 (E_RNA)
where:
Base-Base interactions energy: -143.785
where: short stacking energy: -70.791
Base-Backbone interact. energy: -0.237
local terms energy: -73.340165
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -10.187
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: 5
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -177.328597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.328597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.328597 (E_RNA)
where:
Base-Base interactions energy: -111.226
where: short stacking energy: -56.708
Base-Backbone interact. energy: -0.093
local terms energy: -66.009567
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -11.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -176.312132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.312132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.312132 (E_RNA)
where:
Base-Base interactions energy: -98.332
where: short stacking energy: -52.847
Base-Backbone interact. energy: -0.175
local terms energy: -77.805175
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -20.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -175.529471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.529471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.529471 (E_RNA)
where:
Base-Base interactions energy: -108.907
where: short stacking energy: -56.543
Base-Backbone interact. energy: -0.616
local terms energy: -66.006480
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -6.433
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: 8
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -114.308745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.308745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.308745 (E_RNA)
where:
Base-Base interactions energy: -61.323
where: short stacking energy: -31.501
Base-Backbone interact. energy: -0.038
local terms energy: -52.947488
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -9.304
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -3.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -92.589628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.589628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.589628 (E_RNA)
where:
Base-Base interactions energy: -34.543
where: short stacking energy: -31.267
Base-Backbone interact. energy: 0.203
local terms energy: -58.250054
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -8.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -86.313078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.313078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.313078 (E_RNA)
where:
Base-Base interactions energy: -28.656
where: short stacking energy: -28.656
Base-Backbone interact. energy: -0.091
local terms energy: -57.565763
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -7.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -81.094590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.094590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.094590 (E_RNA)
where:
Base-Base interactions energy: -27.762
where: short stacking energy: -27.292
Base-Backbone interact. energy: -0.075
local terms energy: -53.257017
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -11.720
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -5.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -77.371602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.371602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.371602 (E_RNA)
where:
Base-Base interactions energy: -24.318
where: short stacking energy: -20.960
Base-Backbone interact. energy: -0.327
local terms energy: -52.726480
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -0.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -217.746582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.746582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.746582 (E_RNA)
where:
Base-Base interactions energy: -145.108
where: short stacking energy: -64.632
Base-Backbone interact. energy: -0.016
local terms energy: -72.622051
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -5.912
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: 263
Temperature: 0.950000
Total energy: -192.498456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.498456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.498456 (E_RNA)
where:
Base-Base interactions energy: -117.333
where: short stacking energy: -57.149
Base-Backbone interact. energy: -0.127
local terms energy: -75.038385
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -14.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -215.308583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.308583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.308583 (E_RNA)
where:
Base-Base interactions energy: -139.530
where: short stacking energy: -70.823
Base-Backbone interact. energy: -0.000
local terms energy: -75.777795
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -18.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -181.504482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.504482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.504482 (E_RNA)
where:
Base-Base interactions energy: -111.989
where: short stacking energy: -62.147
Base-Backbone interact. energy: -0.833
local terms energy: -68.682689
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -12.666
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: 5, replica: 3
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -175.750181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.750181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.750181 (E_RNA)
where:
Base-Base interactions energy: -105.673
where: short stacking energy: -60.254
Base-Backbone interact. energy: -0.137
local terms energy: -69.940016
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -16.290
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: 6, replica: 10
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -111.192853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.192853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.192853 (E_RNA)
where:
Base-Base interactions energy: -58.249
where: short stacking energy: -33.530
Base-Backbone interact. energy: -0.061
local terms energy: -52.882483
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -4.388
tors. eta vs tors. theta energy: -7.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -100.251533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.251533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.251533 (E_RNA)
where:
Base-Base interactions energy: -29.657
where: short stacking energy: -28.690
Base-Backbone interact. energy: -0.184
local terms energy: -70.410133
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -9.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -90.153634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.153634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.153634 (E_RNA)
where:
Base-Base interactions energy: -41.489
where: short stacking energy: -29.611
Base-Backbone interact. energy: -0.267
local terms energy: -48.396898
where:
bonds (distance) C4'-P energy: -9.182
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -3.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -82.521924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.521924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.521924 (E_RNA)
where:
Base-Base interactions energy: -34.853
where: short stacking energy: -31.579
Base-Backbone interact. energy: 0.295
local terms energy: -47.963245
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -2.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -84.364131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.364131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.364131 (E_RNA)
where:
Base-Base interactions energy: -27.656
where: short stacking energy: -24.942
Base-Backbone interact. energy: -0.021
local terms energy: -56.686474
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -10.801
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -4.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -198.105328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.105328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.105328 (E_RNA)
where:
Base-Base interactions energy: -123.620
where: short stacking energy: -67.908
Base-Backbone interact. energy: -0.002
local terms energy: -74.483554
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -20.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -215.378469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.378469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.378469 (E_RNA)
where:
Base-Base interactions energy: -139.923
where: short stacking energy: -67.765
Base-Backbone interact. energy: -0.033
local terms energy: -75.422497
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -17.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -221.234201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.234201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.234201 (E_RNA)
where:
Base-Base interactions energy: -144.670
where: short stacking energy: -68.482
Base-Backbone interact. energy: -0.087
local terms energy: -76.477126
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -8.463
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -21.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -169.491047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.491047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.491047 (E_RNA)
where:
Base-Base interactions energy: -99.374
where: short stacking energy: -57.804
Base-Backbone interact. energy: -0.517
local terms energy: -69.600621
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -13.815
tors. eta vs tors. theta energy: -14.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -175.665497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.665497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.665497 (E_RNA)
where:
Base-Base interactions energy: -110.450
where: short stacking energy: -51.917
Base-Backbone interact. energy: -0.146
local terms energy: -65.069507
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -14.500
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: 6, replica: 10
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -97.370464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.370464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.370464 (E_RNA)
where:
Base-Base interactions energy: -51.822
where: short stacking energy: -40.350
Base-Backbone interact. energy: 0.900
local terms energy: -46.448541
where:
bonds (distance) C4'-P energy: -8.707
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -5.096
tors. eta vs tors. theta energy: -2.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -90.552477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.552477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.552477 (E_RNA)
where:
Base-Base interactions energy: -38.139
where: short stacking energy: -27.774
Base-Backbone interact. energy: -0.052
local terms energy: -52.361507
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -7.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -91.697690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.697690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.697690 (E_RNA)
where:
Base-Base interactions energy: -35.036
where: short stacking energy: -35.036
Base-Backbone interact. energy: -0.086
local terms energy: -56.575581
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: -8.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -90.250495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.250495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.250495 (E_RNA)
where:
Base-Base interactions energy: -36.892
where: short stacking energy: -26.139
Base-Backbone interact. energy: -0.716
local terms energy: -52.642540
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -4.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -84.732358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.732358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.732358 (E_RNA)
where:
Base-Base interactions energy: -37.141
where: short stacking energy: -20.747
Base-Backbone interact. energy: -1.483
local terms energy: -46.108249
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: -1.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -196.892809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.892809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.892809 (E_RNA)
where:
Base-Base interactions energy: -119.157
where: short stacking energy: -69.742
Base-Backbone interact. energy: -0.596
local terms energy: -77.139356
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -18.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -217.271618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.271618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.271618 (E_RNA)
where:
Base-Base interactions energy: -160.561
where: short stacking energy: -56.310
Base-Backbone interact. energy: -0.438
local terms energy: -56.272826
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -2.381
tors. eta vs tors. theta energy: -9.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -218.392397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.392397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.392397 (E_RNA)
where:
Base-Base interactions energy: -140.397
where: short stacking energy: -60.618
Base-Backbone interact. energy: -0.130
local terms energy: -77.865573
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -17.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -189.854229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.854229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.854229 (E_RNA)
where:
Base-Base interactions energy: -117.753
where: short stacking energy: -67.745
Base-Backbone interact. energy: -0.277
local terms energy: -71.824270
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -9.892
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -17.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -169.564863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.564863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.564863 (E_RNA)
where:
Base-Base interactions energy: -99.841
where: short stacking energy: -49.084
Base-Backbone interact. energy: -0.009
local terms energy: -69.715159
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -15.255
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: 10
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -99.799111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.799111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.799111 (E_RNA)
where:
Base-Base interactions energy: -37.920
where: short stacking energy: -35.199
Base-Backbone interact. energy: -0.154
local terms energy: -61.725306
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -8.589
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: 8
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -97.048630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.048630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.048630 (E_RNA)
where:
Base-Base interactions energy: -39.394
where: short stacking energy: -39.394
Base-Backbone interact. energy: -0.105
local terms energy: -57.548663
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -4.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -91.698065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.698065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.698065 (E_RNA)
where:
Base-Base interactions energy: -38.166
where: short stacking energy: -16.861
Base-Backbone interact. energy: -0.685
local terms energy: -52.847103
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -7.971
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -4.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -88.372893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.372893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.372893 (E_RNA)
where:
Base-Base interactions energy: -40.821
where: short stacking energy: -32.752
Base-Backbone interact. energy: -0.233
local terms energy: -47.318977
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -2.663
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: 10, replica: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -81.516040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.516040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.516040 (E_RNA)
where:
Base-Base interactions energy: -28.460
where: short stacking energy: -28.350
Base-Backbone interact. energy: -0.080
local terms energy: -52.976179
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -10.271
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: 7
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -218.731658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.731658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.731658 (E_RNA)
where:
Base-Base interactions energy: -142.842
where: short stacking energy: -63.316
Base-Backbone interact. energy: -0.729
local terms energy: -75.161254
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -16.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -176.112452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.112452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.112452 (E_RNA)
where:
Base-Base interactions energy: -107.240
where: short stacking energy: -58.996
Base-Backbone interact. energy: -0.337
local terms energy: -68.535529
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -16.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -216.293011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.293011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.293011 (E_RNA)
where:
Base-Base interactions energy: -135.556
where: short stacking energy: -63.414
Base-Backbone interact. energy: -0.014
local terms energy: -80.722969
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -21.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -179.901107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.901107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.901107 (E_RNA)
where:
Base-Base interactions energy: -109.174
where: short stacking energy: -47.506
Base-Backbone interact. energy: -0.240
local terms energy: -70.487342
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -11.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -153.680650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.680650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.680650 (E_RNA)
where:
Base-Base interactions energy: -88.719
where: short stacking energy: -46.607
Base-Backbone interact. energy: -0.657
local terms energy: -64.304061
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -16.034
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -12.916
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: 10
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -106.977421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.977421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.977421 (E_RNA)
where:
Base-Base interactions energy: -56.656
where: short stacking energy: -46.757
Base-Backbone interact. energy: -0.004
local terms energy: -50.317991
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -6.598
tors. eta vs tors. theta energy: -6.903
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: 266
Temperature: 1.200000
Total energy: -86.374102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.374102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.374102 (E_RNA)
where:
Base-Base interactions energy: -31.748
where: short stacking energy: -31.748
Base-Backbone interact. energy: -0.263
local terms energy: -54.363066
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -4.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -93.941408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.941408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.941408 (E_RNA)
where:
Base-Base interactions energy: -36.533
where: short stacking energy: -36.533
Base-Backbone interact. energy: -0.212
local terms energy: -57.195556
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -5.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -96.711525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.711525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.711525 (E_RNA)
where:
Base-Base interactions energy: -57.194
where: short stacking energy: -27.228
Base-Backbone interact. energy: -0.032
local terms energy: -39.485271
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -9.574
flat angles C4'-P-C4' energy: -6.660
flat angles P-C4'-P energy: -2.636
tors. eta vs tors. theta energy: -4.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -90.274218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.274218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.274218 (E_RNA)
where:
Base-Base interactions energy: -44.895
where: short stacking energy: -31.618
Base-Backbone interact. energy: -0.166
local terms energy: -45.213013
where:
bonds (distance) C4'-P energy: -7.488
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -8.756
flat angles P-C4'-P energy: -6.851
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: 1, replica: 7
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -223.493754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.493754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.493754 (E_RNA)
where:
Base-Base interactions energy: -147.334
where: short stacking energy: -53.449
Base-Backbone interact. energy: -1.965
local terms energy: -74.194481
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -17.078
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: 2, replica: 1
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -223.375058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.375058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.375058 (E_RNA)
where:
Base-Base interactions energy: -148.032
where: short stacking energy: -67.585
Base-Backbone interact. energy: -0.482
local terms energy: -74.861835
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -9.793
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: 3, replica: 5
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -175.780165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.780165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.780165 (E_RNA)
where:
Base-Base interactions energy: -105.984
where: short stacking energy: -60.279
Base-Backbone interact. energy: 0.126
local terms energy: -69.922171
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -15.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -167.988859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.988859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.988859 (E_RNA)
where:
Base-Base interactions energy: -96.368
where: short stacking energy: -52.362
Base-Backbone interact. energy: -0.054
local terms energy: -71.566702
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -13.556
tors. eta vs tors. theta energy: -11.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -160.468273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.468273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.468273 (E_RNA)
where:
Base-Base interactions energy: -92.130
where: short stacking energy: -48.417
Base-Backbone interact. energy: -0.266
local terms energy: -68.072666
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -11.883
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: 267
Temperature: 1.150000
Total energy: -118.360613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.360613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.360613 (E_RNA)
where:
Base-Base interactions energy: -63.595
where: short stacking energy: -50.818
Base-Backbone interact. energy: -0.181
local terms energy: -54.584736
where:
bonds (distance) C4'-P energy: -7.527
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -9.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -96.702512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.702512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.702512 (E_RNA)
where:
Base-Base interactions energy: -43.657
where: short stacking energy: -42.343
Base-Backbone interact. energy: -0.068
local terms energy: -52.977949
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -9.064
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -10.248
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: 2
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -99.893448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.893448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.893448 (E_RNA)
where:
Base-Base interactions energy: -49.348
where: short stacking energy: -43.815
Base-Backbone interact. energy: -0.130
local terms energy: -50.414654
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -3.617
tors. eta vs tors. theta energy: -7.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -91.281879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.281879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.281879 (E_RNA)
where:
Base-Base interactions energy: -38.385
where: short stacking energy: -32.286
Base-Backbone interact. energy: -1.344
local terms energy: -51.553110
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -10.365
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: 10, replica: 6
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -76.471314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.471314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.471314 (E_RNA)
where:
Base-Base interactions energy: -28.043
where: short stacking energy: -28.043
Base-Backbone interact. energy: -0.106
local terms energy: -48.322454
where:
bonds (distance) C4'-P energy: -9.979
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -9.462
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -5.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -221.171622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.171622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.171622 (E_RNA)
where:
Base-Base interactions energy: -148.084
where: short stacking energy: -62.302
Base-Backbone interact. energy: -1.051
local terms energy: -72.036444
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -17.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -218.231658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.231658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.231658 (E_RNA)
where:
Base-Base interactions energy: -139.152
where: short stacking energy: -66.763
Base-Backbone interact. energy: -0.350
local terms energy: -78.729089
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -10.689
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: 3, replica: 4
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -165.235181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.235181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.235181 (E_RNA)
where:
Base-Base interactions energy: -104.474
where: short stacking energy: -44.301
Base-Backbone interact. energy: -0.111
local terms energy: -60.649466
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -10.314
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: 4, replica: 5
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -193.898658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.898658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.898658 (E_RNA)
where:
Base-Base interactions energy: -123.239
where: short stacking energy: -57.610
Base-Backbone interact. energy: -0.002
local terms energy: -70.658094
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -10.212
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: 5, replica: 3
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -162.478333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.478333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.478333 (E_RNA)
where:
Base-Base interactions energy: -95.633
where: short stacking energy: -47.268
Base-Backbone interact. energy: -0.111
local terms energy: -66.734952
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -12.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -120.364973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.364973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.364973 (E_RNA)
where:
Base-Base interactions energy: -60.895
where: short stacking energy: -46.397
Base-Backbone interact. energy: 1.278
local terms energy: -60.748079
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -13.953
flat angles C4'-P-C4' energy: -10.879
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -9.944
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: 2
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -101.608115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.608115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.608115 (E_RNA)
where:
Base-Base interactions energy: -43.430
where: short stacking energy: -42.992
Base-Backbone interact. energy: 1.147
local terms energy: -59.325737
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -10.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -94.414263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.414263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.414263 (E_RNA)
where:
Base-Base interactions energy: -44.517
where: short stacking energy: -27.172
Base-Backbone interact. energy: -0.308
local terms energy: -49.589425
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -2.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -84.168722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.168722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.168722 (E_RNA)
where:
Base-Base interactions energy: -31.055
where: short stacking energy: -28.431
Base-Backbone interact. energy: -1.519
local terms energy: -51.595612
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -5.558
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: 10, replica: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -79.404907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.404907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.404907 (E_RNA)
where:
Base-Base interactions energy: -35.830
where: short stacking energy: -25.402
Base-Backbone interact. energy: -0.166
local terms energy: -43.408850
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -1.075
tors. eta vs tors. theta energy: 0.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -226.220316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.220316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.220316 (E_RNA)
where:
Base-Base interactions energy: -149.069
where: short stacking energy: -61.616
Base-Backbone interact. energy: -0.112
local terms energy: -77.039157
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -19.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -219.500617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.500617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.500617 (E_RNA)
where:
Base-Base interactions energy: -152.331
where: short stacking energy: -59.008
Base-Backbone interact. energy: -0.009
local terms energy: -67.160943
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -17.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -170.406442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.406442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.406442 (E_RNA)
where:
Base-Base interactions energy: -98.599
where: short stacking energy: -53.420
Base-Backbone interact. energy: -0.213
local terms energy: -71.593923
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -9.919
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: 4, replica: 5
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -174.065956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.065956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.065956 (E_RNA)
where:
Base-Base interactions energy: -105.314
where: short stacking energy: -52.739
Base-Backbone interact. energy: -1.490
local terms energy: -67.262300
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -11.706
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -15.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -184.024013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.024013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.024013 (E_RNA)
where:
Base-Base interactions energy: -111.345
where: short stacking energy: -58.991
Base-Backbone interact. energy: -0.689
local terms energy: -71.990428
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -18.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -109.471056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.471056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.471056 (E_RNA)
where:
Base-Base interactions energy: -51.875
where: short stacking energy: -34.774
Base-Backbone interact. energy: 0.839
local terms energy: -58.434667
where:
bonds (distance) C4'-P energy: -11.120
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -4.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -101.740767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.740767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.740767 (E_RNA)
where:
Base-Base interactions energy: -44.816
where: short stacking energy: -42.590
Base-Backbone interact. energy: -0.019
local terms energy: -56.905383
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -12.048
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -5.320
tors. eta vs tors. theta energy: -9.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -84.233805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.233805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.233805 (E_RNA)
where:
Base-Base interactions energy: -28.605
where: short stacking energy: -27.439
Base-Backbone interact. energy: 0.336
local terms energy: -55.964643
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -4.119
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: 269
Temperature: 1.300000
Total energy: -81.227490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.227490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.227490 (E_RNA)
where:
Base-Base interactions energy: -32.711
where: short stacking energy: -16.514
Base-Backbone interact. energy: -0.515
local terms energy: -48.001856
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: 0.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -90.934621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.934621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.934621 (E_RNA)
where:
Base-Base interactions energy: -31.913
where: short stacking energy: -31.913
Base-Backbone interact. energy: -0.450
local terms energy: -58.570685
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -7.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -220.700296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.700296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.700296 (E_RNA)
where:
Base-Base interactions energy: -151.895
where: short stacking energy: -76.601
Base-Backbone interact. energy: -0.330
local terms energy: -68.475396
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -8.799
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -10.969
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: 7
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -218.171592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.171592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.171592 (E_RNA)
where:
Base-Base interactions energy: -141.666
where: short stacking energy: -71.065
Base-Backbone interact. energy: -0.288
local terms energy: -76.218085
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -18.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -183.721608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.721608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.721608 (E_RNA)
where:
Base-Base interactions energy: -108.927
where: short stacking energy: -60.590
Base-Backbone interact. energy: -0.407
local terms energy: -74.388222
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -17.418
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -15.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -162.147182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.147182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.147182 (E_RNA)
where:
Base-Base interactions energy: -102.757
where: short stacking energy: -52.219
Base-Backbone interact. energy: -1.001
local terms energy: -58.389448
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -4.946
tors. eta vs tors. theta energy: -10.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -169.620046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.620046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.620046 (E_RNA)
where:
Base-Base interactions energy: -105.769
where: short stacking energy: -53.409
Base-Backbone interact. energy: -0.700
local terms energy: -63.150480
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -9.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -96.665813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.665813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.665813 (E_RNA)
where:
Base-Base interactions energy: -44.294
where: short stacking energy: -37.136
Base-Backbone interact. energy: -0.213
local terms energy: -52.158829
where:
bonds (distance) C4'-P energy: -7.069
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -5.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -90.556742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.556742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.556742 (E_RNA)
where:
Base-Base interactions energy: -30.733
where: short stacking energy: -30.733
Base-Backbone interact. energy: -0.188
local terms energy: -59.635947
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -2.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -91.374800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.374800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.374800 (E_RNA)
where:
Base-Base interactions energy: -37.628
where: short stacking energy: -35.033
Base-Backbone interact. energy: -0.108
local terms energy: -53.639114
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -7.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -88.253468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.253468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.253468 (E_RNA)
where:
Base-Base interactions energy: -31.134
where: short stacking energy: -31.134
Base-Backbone interact. energy: -0.291
local terms energy: -56.828478
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -8.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -76.743586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.743586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.743586 (E_RNA)
where:
Base-Base interactions energy: -32.118
where: short stacking energy: -32.118
Base-Backbone interact. energy: 0.176
local terms energy: -44.802368
where:
bonds (distance) C4'-P energy: -5.495
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -9.876
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -6.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -227.484201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.484201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.484201 (E_RNA)
where:
Base-Base interactions energy: -151.848
where: short stacking energy: -70.748
Base-Backbone interact. energy: -0.008
local terms energy: -75.628541
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -18.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -221.197571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.197571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.197571 (E_RNA)
where:
Base-Base interactions energy: -146.367
where: short stacking energy: -73.362
Base-Backbone interact. energy: -0.031
local terms energy: -74.799191
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -11.478
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: 3, replica: 5
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -197.895996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.895996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.895996 (E_RNA)
where:
Base-Base interactions energy: -127.716
where: short stacking energy: -60.845
Base-Backbone interact. energy: -0.013
local terms energy: -70.167590
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -13.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -178.525636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.525636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.525636 (E_RNA)
where:
Base-Base interactions energy: -112.672
where: short stacking energy: -63.981
Base-Backbone interact. energy: -0.214
local terms energy: -65.639702
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -9.426
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -18.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -188.055527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.055527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.055527 (E_RNA)
where:
Base-Base interactions energy: -117.186
where: short stacking energy: -56.440
Base-Backbone interact. energy: -0.101
local terms energy: -70.768976
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -13.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -106.064361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.064361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.064361 (E_RNA)
where:
Base-Base interactions energy: -48.096
where: short stacking energy: -48.096
Base-Backbone interact. energy: -0.003
local terms energy: -57.965129
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -15.217
flat angles C4'-P-C4' energy: -10.227
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -11.055
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: 271
Temperature: 1.200000
Total energy: -91.615225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.615225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.615225 (E_RNA)
where:
Base-Base interactions energy: -34.292
where: short stacking energy: -29.771
Base-Backbone interact. energy: -0.204
local terms energy: -57.119200
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -9.632
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -7.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -90.403664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.403664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.403664 (E_RNA)
where:
Base-Base interactions energy: -33.347
where: short stacking energy: -30.173
Base-Backbone interact. energy: -1.434
local terms energy: -55.622707
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -10.138
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -2.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -83.344303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.344303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.344303 (E_RNA)
where:
Base-Base interactions energy: -29.726
where: short stacking energy: -29.726
Base-Backbone interact. energy: -0.038
local terms energy: -53.580469
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -6.189
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: 10
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -94.741754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.741754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.741754 (E_RNA)
where:
Base-Base interactions energy: -40.430
where: short stacking energy: -40.430
Base-Backbone interact. energy: -0.318
local terms energy: -53.993853
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -8.088
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -8.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -226.188519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.188519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.188519 (E_RNA)
where:
Base-Base interactions energy: -148.829
where: short stacking energy: -69.725
Base-Backbone interact. energy: -0.000
local terms energy: -77.359123
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -19.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -219.270716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.270716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.270716 (E_RNA)
where:
Base-Base interactions energy: -147.533
where: short stacking energy: -68.476
Base-Backbone interact. energy: -0.027
local terms energy: -71.711553
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -17.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -195.460064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.460064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.460064 (E_RNA)
where:
Base-Base interactions energy: -125.807
where: short stacking energy: -69.643
Base-Backbone interact. energy: -0.033
local terms energy: -69.620082
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -10.206
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: 4, replica: 5
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -186.361037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.361037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.361037 (E_RNA)
where:
Base-Base interactions energy: -121.880
where: short stacking energy: -55.259
Base-Backbone interact. energy: -0.215
local terms energy: -64.265824
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -5.923
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: 5, replica: 3
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -177.251265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.251265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.251265 (E_RNA)
where:
Base-Base interactions energy: -105.332
where: short stacking energy: -55.374
Base-Backbone interact. energy: -0.006
local terms energy: -71.913119
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -19.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -115.368056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.368056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.368056 (E_RNA)
where:
Base-Base interactions energy: -58.187
where: short stacking energy: -42.943
Base-Backbone interact. energy: -0.144
local terms energy: -57.037684
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -1.796
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: 2
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -89.887452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.887452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.887452 (E_RNA)
where:
Base-Base interactions energy: -32.025
where: short stacking energy: -30.803
Base-Backbone interact. energy: -0.154
local terms energy: -57.708394
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -2.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -87.104981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.104981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.104981 (E_RNA)
where:
Base-Base interactions energy: -33.322
where: short stacking energy: -28.288
Base-Backbone interact. energy: -0.030
local terms energy: -53.752787
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -9.370
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: 9, replica: 10
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -81.945357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.945357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.945357 (E_RNA)
where:
Base-Base interactions energy: -33.709
where: short stacking energy: -33.709
Base-Backbone interact. energy: -0.007
local terms energy: -48.229846
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -10.080
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -6.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -75.440359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.440359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.440359 (E_RNA)
where:
Base-Base interactions energy: -23.321
where: short stacking energy: -23.421
Base-Backbone interact. energy: 1.497
local terms energy: -53.616800
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -6.561
tors. eta vs tors. theta energy: -1.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -215.336676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.336676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.336676 (E_RNA)
where:
Base-Base interactions energy: -140.071
where: short stacking energy: -60.962
Base-Backbone interact. energy: -1.166
local terms energy: -74.100304
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -18.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -224.176019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.176019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.176019 (E_RNA)
where:
Base-Base interactions energy: -145.466
where: short stacking energy: -67.597
Base-Backbone interact. energy: -1.522
local terms energy: -77.187652
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -17.202
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -20.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -184.301597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.301597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.301597 (E_RNA)
where:
Base-Base interactions energy: -111.327
where: short stacking energy: -61.186
Base-Backbone interact. energy: -0.499
local terms energy: -72.475866
where:
bonds (distance) C4'-P energy: -12.349
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -18.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -172.862664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.862664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.862664 (E_RNA)
where:
Base-Base interactions energy: -101.161
where: short stacking energy: -56.653
Base-Backbone interact. energy: 0.638
local terms energy: -72.339552
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -14.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -174.808467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.808467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.808467 (E_RNA)
where:
Base-Base interactions energy: -110.293
where: short stacking energy: -56.294
Base-Backbone interact. energy: 0.338
local terms energy: -64.853342
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -7.042
tors. eta vs tors. theta energy: -16.883
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: 273
Temperature: 1.150000
Total energy: -130.433530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.433530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.433530 (E_RNA)
where:
Base-Base interactions energy: -77.387
where: short stacking energy: -27.087
Base-Backbone interact. energy: -0.255
local terms energy: -52.792027
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -5.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -82.200626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.200626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.200626 (E_RNA)
where:
Base-Base interactions energy: -28.809
where: short stacking energy: -25.332
Base-Backbone interact. energy: -0.410
local terms energy: -52.982528
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -18.192
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -6.701
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: 273
Temperature: 1.250000
Total energy: -95.634749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.634749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.634749 (E_RNA)
where:
Base-Base interactions energy: -39.300
where: short stacking energy: -39.300
Base-Backbone interact. energy: -0.067
local terms energy: -56.267495
where:
bonds (distance) C4'-P energy: -8.197
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -6.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -85.475692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.475692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.475692 (E_RNA)
where:
Base-Base interactions energy: -34.202
where: short stacking energy: -21.321
Base-Backbone interact. energy: -0.508
local terms energy: -50.765730
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -10.062
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -2.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -78.547331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.547331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.547331 (E_RNA)
where:
Base-Base interactions energy: -25.065
where: short stacking energy: -25.065
Base-Backbone interact. energy: 0.100
local terms energy: -53.582600
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -10.258
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -6.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -231.796916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.796916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.796916 (E_RNA)
where:
Base-Base interactions energy: -154.786
where: short stacking energy: -74.059
Base-Backbone interact. energy: -0.075
local terms energy: -76.935318
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -22.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -216.367938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.367938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.367938 (E_RNA)
where:
Base-Base interactions energy: -149.288
where: short stacking energy: -69.375
Base-Backbone interact. energy: -0.008
local terms energy: -67.072290
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -1.224
tors. eta vs tors. theta energy: -18.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -199.550392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.550392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.550392 (E_RNA)
where:
Base-Base interactions energy: -121.738
where: short stacking energy: -70.758
Base-Backbone interact. energy: -0.395
local terms energy: -77.417703
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -21.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -186.654757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.654757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.654757 (E_RNA)
where:
Base-Base interactions energy: -119.465
where: short stacking energy: -65.248
Base-Backbone interact. energy: -0.747
local terms energy: -66.442823
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -16.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -133.381864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.381864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.381864 (E_RNA)
where:
Base-Base interactions energy: -73.818
where: short stacking energy: -44.436
Base-Backbone interact. energy: -0.122
local terms energy: -59.441967
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -5.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -154.364274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.364274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.364274 (E_RNA)
where:
Base-Base interactions energy: -91.067
where: short stacking energy: -58.098
Base-Backbone interact. energy: 0.190
local terms energy: -63.487821
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -7.599
tors. eta vs tors. theta energy: -15.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -90.674608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.674608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.674608 (E_RNA)
where:
Base-Base interactions energy: -28.317
where: short stacking energy: -28.317
Base-Backbone interact. energy: -0.001
local terms energy: -62.356597
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -8.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -87.484513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.484513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.484513 (E_RNA)
where:
Base-Base interactions energy: -40.921
where: short stacking energy: -33.199
Base-Backbone interact. energy: 0.587
local terms energy: -47.149861
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -7.416
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -4.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -86.152535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.152535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.152535 (E_RNA)
where:
Base-Base interactions energy: -31.589
where: short stacking energy: -31.589
Base-Backbone interact. energy: -0.026
local terms energy: -54.536734
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -4.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -73.971550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.971550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.971550 (E_RNA)
where:
Base-Base interactions energy: -35.920
where: short stacking energy: -22.503
Base-Backbone interact. energy: -1.011
local terms energy: -37.040735
where:
bonds (distance) C4'-P energy: -6.275
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -10.852
flat angles P-C4'-P energy: -7.525
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: 1, replica: 7
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -228.184013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.184013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.184013 (E_RNA)
where:
Base-Base interactions energy: -153.282
where: short stacking energy: -67.504
Base-Backbone interact. energy: -0.018
local terms energy: -74.883802
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -22.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -221.055813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.055813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.055813 (E_RNA)
where:
Base-Base interactions energy: -155.924
where: short stacking energy: -61.519
Base-Backbone interact. energy: 0.514
local terms energy: -65.645765
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -17.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -207.248856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.248856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.248856 (E_RNA)
where:
Base-Base interactions energy: -129.367
where: short stacking energy: -72.940
Base-Backbone interact. energy: -0.033
local terms energy: -77.848571
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -22.795
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: 275
Temperature: 1.050000
Total energy: -158.929534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.929534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.929534 (E_RNA)
where:
Base-Base interactions energy: -90.315
where: short stacking energy: -51.644
Base-Backbone interact. energy: -0.088
local terms energy: -68.527236
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -12.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -177.498851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.498851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.498851 (E_RNA)
where:
Base-Base interactions energy: -111.904
where: short stacking energy: -70.003
Base-Backbone interact. energy: -0.001
local terms energy: -65.593426
where:
bonds (distance) C4'-P energy: -8.208
bonds (distance) P-C4' energy: -14.953
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -20.070
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: 5
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -160.776750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.776750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.776750 (E_RNA)
where:
Base-Base interactions energy: -99.632
where: short stacking energy: -47.048
Base-Backbone interact. energy: -1.014
local terms energy: -60.131329
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -9.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -93.420695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.420695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.420695 (E_RNA)
where:
Base-Base interactions energy: -40.194
where: short stacking energy: -36.044
Base-Backbone interact. energy: -0.126
local terms energy: -53.100828
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -11.814
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -6.556
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: 8, replica: 8
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -79.835656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.835656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.835656 (E_RNA)
where:
Base-Base interactions energy: -28.219
where: short stacking energy: -24.501
Base-Backbone interact. energy: -0.660
local terms energy: -50.956733
where:
bonds (distance) C4'-P energy: -7.835
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -3.794
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: 6
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -91.128859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.128859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.128859 (E_RNA)
where:
Base-Base interactions energy: -34.716
where: short stacking energy: -34.716
Base-Backbone interact. energy: -0.207
local terms energy: -56.205918
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -8.876
flat angles P-C4'-P energy: -10.998
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: 10, replica: 10
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -84.447090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.447090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.447090 (E_RNA)
where:
Base-Base interactions energy: -35.216
where: short stacking energy: -25.711
Base-Backbone interact. energy: -0.159
local terms energy: -49.071506
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -10.726
flat angles C4'-P-C4' energy: -6.154
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -4.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -222.471900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.471900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.471900 (E_RNA)
where:
Base-Base interactions energy: -151.636
where: short stacking energy: -51.905
Base-Backbone interact. energy: -0.733
local terms energy: -70.103365
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -18.887
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: 7
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -226.242443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.242443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.242443 (E_RNA)
where:
Base-Base interactions energy: -145.902
where: short stacking energy: -67.227
Base-Backbone interact. energy: -1.381
local terms energy: -78.959139
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -22.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -178.553759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.553759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.553759 (E_RNA)
where:
Base-Base interactions energy: -108.993
where: short stacking energy: -62.193
Base-Backbone interact. energy: -0.772
local terms energy: -68.789497
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -13.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -157.684337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.684337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.684337 (E_RNA)
where:
Base-Base interactions energy: -101.356
where: short stacking energy: -55.501
Base-Backbone interact. energy: -0.335
local terms energy: -55.993478
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -10.466
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -9.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -151.094811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.094811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.094811 (E_RNA)
where:
Base-Base interactions energy: -97.934
where: short stacking energy: -47.802
Base-Backbone interact. energy: -0.232
local terms energy: -52.929070
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -6.255
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: 9
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -167.258032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.258032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.258032 (E_RNA)
where:
Base-Base interactions energy: -106.171
where: short stacking energy: -63.505
Base-Backbone interact. energy: -0.003
local terms energy: -61.084128
where:
bonds (distance) C4'-P energy: -10.717
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -4.715
tors. eta vs tors. theta energy: -18.875
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: 8
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -109.182042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.182042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.182042 (E_RNA)
where:
Base-Base interactions energy: -64.531
where: short stacking energy: -31.354
Base-Backbone interact. energy: -0.302
local terms energy: -44.349143
where:
bonds (distance) C4'-P energy: -9.490
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -4.506
tors. eta vs tors. theta energy: 1.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -96.713643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.713643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.713643 (E_RNA)
where:
Base-Base interactions energy: -57.832
where: short stacking energy: -30.560
Base-Backbone interact. energy: 1.430
local terms energy: -40.311710
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -3.898
flat angles P-C4'-P energy: -2.419
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: 10
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -84.200465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.200465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.200465 (E_RNA)
where:
Base-Base interactions energy: -29.244
where: short stacking energy: -24.054
Base-Backbone interact. energy: -0.019
local terms energy: -54.937598
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: -5.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -84.997218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.997218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.997218 (E_RNA)
where:
Base-Base interactions energy: -34.456
where: short stacking energy: -30.497
Base-Backbone interact. energy: -0.104
local terms energy: -50.437612
where:
bonds (distance) C4'-P energy: -9.438
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -0.496
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: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -219.854750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.854750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.854750 (E_RNA)
where:
Base-Base interactions energy: -147.368
where: short stacking energy: -57.917
Base-Backbone interact. energy: -0.437
local terms energy: -72.050077
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -16.738
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: -224.459845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.459845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.459845 (E_RNA)
where:
Base-Base interactions energy: -145.621
where: short stacking energy: -69.502
Base-Backbone interact. energy: -0.129
local terms energy: -78.709695
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -17.899
flat angles P-C4'-P energy: -11.163
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: 3, replica: 4
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -187.267793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.267793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.267793 (E_RNA)
where:
Base-Base interactions energy: -121.118
where: short stacking energy: -63.684
Base-Backbone interact. energy: -0.057
local terms energy: -66.092411
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -13.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -177.204806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.204806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.204806 (E_RNA)
where:
Base-Base interactions energy: -103.760
where: short stacking energy: -52.077
Base-Backbone interact. energy: -0.032
local terms energy: -73.412929
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -12.067
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: 5
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -153.224289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.224289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.224289 (E_RNA)
where:
Base-Base interactions energy: -99.096
where: short stacking energy: -49.701
Base-Backbone interact. energy: -0.249
local terms energy: -53.878762
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -5.517
tors. eta vs tors. theta energy: -13.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -117.282639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.282639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.282639 (E_RNA)
where:
Base-Base interactions energy: -62.863
where: short stacking energy: -44.240
Base-Backbone interact. energy: -0.060
local terms energy: -54.359349
where:
bonds (distance) C4'-P energy: -6.791
bonds (distance) P-C4' energy: -10.846
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -14.034
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: 9
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -146.781421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.781421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.781421 (E_RNA)
where:
Base-Base interactions energy: -88.385
where: short stacking energy: -48.645
Base-Backbone interact. energy: -0.575
local terms energy: -57.821300
where:
bonds (distance) C4'-P energy: -9.669
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -3.731
tors. eta vs tors. theta energy: -12.035
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: 8, replica: 10
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -92.615872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.615872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.615872 (E_RNA)
where:
Base-Base interactions energy: -37.142
where: short stacking energy: -24.358
Base-Backbone interact. energy: -0.046
local terms energy: -55.427941
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -6.482
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: 9, replica: 2
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -95.544646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.544646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.544646 (E_RNA)
where:
Base-Base interactions energy: -36.836
where: short stacking energy: -34.860
Base-Backbone interact. energy: -0.099
local terms energy: -58.608881
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -7.458
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: 277
Temperature: 1.350000
Total energy: -75.096393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.096393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.096393 (E_RNA)
where:
Base-Base interactions energy: -25.681
where: short stacking energy: -16.852
Base-Backbone interact. energy: -0.119
local terms energy: -49.295751
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -5.188
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: 1, replica: 7
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -223.299957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.299957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.299957 (E_RNA)
where:
Base-Base interactions energy: -145.291
where: short stacking energy: -70.782
Base-Backbone interact. energy: -0.502
local terms energy: -77.507202
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -22.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -220.655099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.655099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.655099 (E_RNA)
where:
Base-Base interactions energy: -146.209
where: short stacking energy: -55.750
Base-Backbone interact. energy: -0.486
local terms energy: -73.959915
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -19.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -190.069091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.069091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.069091 (E_RNA)
where:
Base-Base interactions energy: -118.012
where: short stacking energy: -71.125
Base-Backbone interact. energy: -0.282
local terms energy: -71.774744
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: -18.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -165.398366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.398366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.398366 (E_RNA)
where:
Base-Base interactions energy: -98.502
where: short stacking energy: -48.194
Base-Backbone interact. energy: -0.144
local terms energy: -66.751966
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -15.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -161.894174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.894174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.894174 (E_RNA)
where:
Base-Base interactions energy: -94.899
where: short stacking energy: -49.322
Base-Backbone interact. energy: -2.063
local terms energy: -64.932783
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -4.676
tors. eta vs tors. theta energy: -14.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -141.614624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.614624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.614624 (E_RNA)
where:
Base-Base interactions energy: -91.859
where: short stacking energy: -45.277
Base-Backbone interact. energy: 0.079
local terms energy: -49.834801
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -6.752
flat angles P-C4'-P energy: -4.453
tors. eta vs tors. theta energy: -11.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -92.427130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.427130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.427130 (E_RNA)
where:
Base-Base interactions energy: -34.885
where: short stacking energy: -34.885
Base-Backbone interact. energy: -0.255
local terms energy: -57.286500
where:
bonds (distance) C4'-P energy: -10.825
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -8.153
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: 9
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -83.587913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.587913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.587913 (E_RNA)
where:
Base-Base interactions energy: -27.967
where: short stacking energy: -27.781
Base-Backbone interact. energy: -0.616
local terms energy: -55.004872
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -12.460
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -5.947
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: 2
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -78.474097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.474097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.474097 (E_RNA)
where:
Base-Base interactions energy: -28.406
where: short stacking energy: -18.494
Base-Backbone interact. energy: -0.241
local terms energy: -49.827069
where:
bonds (distance) C4'-P energy: -17.004
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -8.143
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -75.754264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.754264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.754264 (E_RNA)
where:
Base-Base interactions energy: -26.218
where: short stacking energy: -26.143
Base-Backbone interact. energy: -0.013
local terms energy: -49.523039
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -11.431
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: 7
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -225.391938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.391938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.391938 (E_RNA)
where:
Base-Base interactions energy: -150.663
where: short stacking energy: -75.584
Base-Backbone interact. energy: -0.001
local terms energy: -74.728015
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -20.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -185.807473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.807473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.807473 (E_RNA)
where:
Base-Base interactions energy: -106.715
where: short stacking energy: -60.580
Base-Backbone interact. energy: -0.000
local terms energy: -79.092527
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -13.762
tors. eta vs tors. theta energy: -18.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -214.530028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.530028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.530028 (E_RNA)
where:
Base-Base interactions energy: -145.225
where: short stacking energy: -63.609
Base-Backbone interact. energy: -0.046
local terms energy: -69.258817
where:
bonds (distance) C4'-P energy: -9.359
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -19.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -173.456941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.456941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.456941 (E_RNA)
where:
Base-Base interactions energy: -104.089
where: short stacking energy: -54.273
Base-Backbone interact. energy: -0.506
local terms energy: -68.862133
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -12.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -175.141481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.141481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.141481 (E_RNA)
where:
Base-Base interactions energy: -107.037
where: short stacking energy: -50.626
Base-Backbone interact. energy: -0.145
local terms energy: -67.959678
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -14.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -97.182638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.182638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.182638 (E_RNA)
where:
Base-Base interactions energy: -39.395
where: short stacking energy: -36.947
Base-Backbone interact. energy: 0.336
local terms energy: -58.123424
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -8.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -99.985007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.985007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.985007 (E_RNA)
where:
Base-Base interactions energy: -48.797
where: short stacking energy: -34.153
Base-Backbone interact. energy: -0.048
local terms energy: -51.140286
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -6.410
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -94.141121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.141121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.141121 (E_RNA)
where:
Base-Base interactions energy: -46.688
where: short stacking energy: -26.584
Base-Backbone interact. energy: -2.037
local terms energy: -45.415947
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -6.982
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: 0.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -83.766119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.766119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.766119 (E_RNA)
where:
Base-Base interactions energy: -35.575
where: short stacking energy: -35.575
Base-Backbone interact. energy: -0.074
local terms energy: -48.117536
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -7.993
flat angles C4'-P-C4' energy: -7.744
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -12.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -76.619102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.619102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.619102 (E_RNA)
where:
Base-Base interactions energy: -29.862
where: short stacking energy: -29.475
Base-Backbone interact. energy: -0.215
local terms energy: -46.542213
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -1.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -224.535385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.535385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.535385 (E_RNA)
where:
Base-Base interactions energy: -146.833
where: short stacking energy: -72.356
Base-Backbone interact. energy: -0.060
local terms energy: -77.642093
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -21.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -204.262099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.262099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.262099 (E_RNA)
where:
Base-Base interactions energy: -128.111
where: short stacking energy: -72.200
Base-Backbone interact. energy: -0.990
local terms energy: -75.161434
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -22.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -220.423904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.423904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.423904 (E_RNA)
where:
Base-Base interactions energy: -140.898
where: short stacking energy: -64.825
Base-Backbone interact. energy: -0.249
local terms energy: -79.277018
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -19.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -176.042434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.042434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.042434 (E_RNA)
where:
Base-Base interactions energy: -102.826
where: short stacking energy: -58.639
Base-Backbone interact. energy: -0.005
local terms energy: -73.211598
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -14.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -100.979007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.979007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.979007 (E_RNA)
where:
Base-Base interactions energy: -34.998
where: short stacking energy: -31.586
Base-Backbone interact. energy: -0.069
local terms energy: -65.912060
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -7.148
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: 3
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -161.628270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.628270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.628270 (E_RNA)
where:
Base-Base interactions energy: -103.507
where: short stacking energy: -52.288
Base-Backbone interact. energy: -0.160
local terms energy: -57.960635
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -11.775
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -14.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -100.287241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.287241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.287241 (E_RNA)
where:
Base-Base interactions energy: -41.684
where: short stacking energy: -41.684
Base-Backbone interact. energy: -0.036
local terms energy: -58.567777
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -4.918
tors. eta vs tors. theta energy: -8.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -105.779793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.779793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.779793 (E_RNA)
where:
Base-Base interactions energy: -45.175
where: short stacking energy: -33.452
Base-Backbone interact. energy: -1.133
local terms energy: -59.471540
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -3.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -81.775815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.775815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.775815 (E_RNA)
where:
Base-Base interactions energy: -30.813
where: short stacking energy: -24.351
Base-Backbone interact. energy: -0.452
local terms energy: -50.510920
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -7.851
flat angles P-C4'-P energy: -5.761
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: 10, replica: 2
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -79.716782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.716782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.716782 (E_RNA)
where:
Base-Base interactions energy: -38.295
where: short stacking energy: -19.089
Base-Backbone interact. energy: -0.254
local terms energy: -41.168539
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -6.060
flat angles P-C4'-P energy: -6.475
tors. eta vs tors. theta energy: -0.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -232.938057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.938057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.938057 (E_RNA)
where:
Base-Base interactions energy: -153.956
where: short stacking energy: -75.328
Base-Backbone interact. energy: -0.003
local terms energy: -78.979160
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -19.891
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: 1
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -219.367342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.367342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.367342 (E_RNA)
where:
Base-Base interactions energy: -143.361
where: short stacking energy: -70.192
Base-Backbone interact. energy: -0.258
local terms energy: -75.748669
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -10.382
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: 3, replica: 4
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -189.443768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.443768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.443768 (E_RNA)
where:
Base-Base interactions energy: -117.072
where: short stacking energy: -58.287
Base-Backbone interact. energy: 0.265
local terms energy: -72.636541
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -18.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -173.145532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.145532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.145532 (E_RNA)
where:
Base-Base interactions energy: -113.598
where: short stacking energy: -51.703
Base-Backbone interact. energy: -0.945
local terms energy: -58.602881
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -9.567
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -10.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -108.492734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.492734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.492734 (E_RNA)
where:
Base-Base interactions energy: -44.027
where: short stacking energy: -44.027
Base-Backbone interact. energy: -0.187
local terms energy: -64.278727
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -9.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -156.315210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.315210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.315210 (E_RNA)
where:
Base-Base interactions energy: -91.502
where: short stacking energy: -42.659
Base-Backbone interact. energy: -0.757
local terms energy: -64.056263
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -5.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -88.649001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.649001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.649001 (E_RNA)
where:
Base-Base interactions energy: -37.594
where: short stacking energy: -36.984
Base-Backbone interact. energy: 0.664
local terms energy: -51.718328
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -9.757
flat angles P-C4'-P energy: -10.061
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: 8, replica: 6
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -95.754943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.754943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.754943 (E_RNA)
where:
Base-Base interactions energy: -35.580
where: short stacking energy: -32.572
Base-Backbone interact. energy: -0.091
local terms energy: -60.083448
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -5.355
tors. eta vs tors. theta energy: -7.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -81.802365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.802365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.802365 (E_RNA)
where:
Base-Base interactions energy: -32.042
where: short stacking energy: -25.881
Base-Backbone interact. energy: -0.119
local terms energy: -49.641978
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -10.495
flat angles P-C4'-P energy: -5.605
tors. eta vs tors. theta energy: -2.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -76.515209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.515209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.515209 (E_RNA)
where:
Base-Base interactions energy: -35.699
where: short stacking energy: -30.971
Base-Backbone interact. energy: -0.107
local terms energy: -40.708514
where:
bonds (distance) C4'-P energy: -9.065
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -9.875
flat angles P-C4'-P energy: -4.787
tors. eta vs tors. theta energy: -4.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -225.413533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.413533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.413533 (E_RNA)
where:
Base-Base interactions energy: -144.834
where: short stacking energy: -61.330
Base-Backbone interact. energy: -0.003
local terms energy: -80.575915
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -12.491
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: 2, replica: 1
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -218.697584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.697584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.697584 (E_RNA)
where:
Base-Base interactions energy: -141.316
where: short stacking energy: -62.006
Base-Backbone interact. energy: -0.270
local terms energy: -77.111346
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -18.857
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: 4
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -177.347861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.347861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.347861 (E_RNA)
where:
Base-Base interactions energy: -108.571
where: short stacking energy: -62.719
Base-Backbone interact. energy: -0.006
local terms energy: -68.770822
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -19.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -176.172717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.172717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.172717 (E_RNA)
where:
Base-Base interactions energy: -107.964
where: short stacking energy: -63.839
Base-Backbone interact. energy: -0.105
local terms energy: -68.103516
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -13.278
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: 3
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -164.244132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.244132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.244132 (E_RNA)
where:
Base-Base interactions energy: -102.764
where: short stacking energy: -56.524
Base-Backbone interact. energy: 0.873
local terms energy: -62.353469
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -11.002
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -11.886
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: 6, replica: 8
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -95.984299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.984299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.984299 (E_RNA)
where:
Base-Base interactions energy: -38.857
where: short stacking energy: -32.848
Base-Backbone interact. energy: -0.184
local terms energy: -56.942988
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -8.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -92.264150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.264150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.264150 (E_RNA)
where:
Base-Base interactions energy: -48.911
where: short stacking energy: -24.030
Base-Backbone interact. energy: -0.314
local terms energy: -43.039860
where:
bonds (distance) C4'-P energy: -7.227
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -11.579
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -1.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -80.849927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.849927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.849927 (E_RNA)
where:
Base-Base interactions energy: -31.494
where: short stacking energy: -22.119
Base-Backbone interact. energy: -0.249
local terms energy: -49.106951
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: -3.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -76.913615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.913615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.913615 (E_RNA)
where:
Base-Base interactions energy: -34.937
where: short stacking energy: -31.447
Base-Backbone interact. energy: 1.440
local terms energy: -43.417039
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: 0.649
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: 10, replica: 10
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -81.511770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.511770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.511770 (E_RNA)
where:
Base-Base interactions energy: -33.817
where: short stacking energy: -23.965
Base-Backbone interact. energy: -0.007
local terms energy: -47.688100
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -1.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -223.016025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.016025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.016025 (E_RNA)
where:
Base-Base interactions energy: -146.385
where: short stacking energy: -69.106
Base-Backbone interact. energy: -0.102
local terms energy: -76.528866
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -21.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -224.069254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.069254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.069254 (E_RNA)
where:
Base-Base interactions energy: -139.641
where: short stacking energy: -60.920
Base-Backbone interact. energy: -0.656
local terms energy: -83.772238
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -23.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -177.039143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.039143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.039143 (E_RNA)
where:
Base-Base interactions energy: -108.687
where: short stacking energy: -63.839
Base-Backbone interact. energy: -0.096
local terms energy: -68.255755
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -3.966
tors. eta vs tors. theta energy: -15.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -182.283889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.283889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.283889 (E_RNA)
where:
Base-Base interactions energy: -110.353
where: short stacking energy: -56.188
Base-Backbone interact. energy: -0.002
local terms energy: -71.929025
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -9.820
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: 5, replica: 5
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -160.613012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.613012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.613012 (E_RNA)
where:
Base-Base interactions energy: -104.205
where: short stacking energy: -51.148
Base-Backbone interact. energy: -0.143
local terms energy: -56.264488
where:
bonds (distance) C4'-P energy: -8.655
bonds (distance) P-C4' energy: -11.328
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -12.170
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: 6
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -103.080759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.080759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.080759 (E_RNA)
where:
Base-Base interactions energy: -46.931
where: short stacking energy: -41.833
Base-Backbone interact. energy: 0.203
local terms energy: -56.352166
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -2.032
tors. eta vs tors. theta energy: -7.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -87.150794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.150794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.150794 (E_RNA)
where:
Base-Base interactions energy: -33.378
where: short stacking energy: -33.378
Base-Backbone interact. energy: -0.105
local terms energy: -53.667856
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -12.601
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -9.108
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: 2
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -121.084800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.084800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.084800 (E_RNA)
where:
Base-Base interactions energy: -71.289
where: short stacking energy: -33.813
Base-Backbone interact. energy: -0.222
local terms energy: -49.573619
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -8.553
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -13.284
tors. eta vs tors. theta energy: -2.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -91.080358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.080358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.080358 (E_RNA)
where:
Base-Base interactions energy: -33.289
where: short stacking energy: -33.289
Base-Backbone interact. energy: -0.115
local terms energy: -57.676348
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -6.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -97.723931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.723931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.723931 (E_RNA)
where:
Base-Base interactions energy: -39.815
where: short stacking energy: -27.706
Base-Backbone interact. energy: -0.159
local terms energy: -57.750010
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -8.791
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -9.071
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: 1, replica: 7
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -225.966872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.966872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.966872 (E_RNA)
where:
Base-Base interactions energy: -143.733
where: short stacking energy: -74.356
Base-Backbone interact. energy: -0.165
local terms energy: -82.068095
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -24.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -221.895050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.895050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.895050 (E_RNA)
where:
Base-Base interactions energy: -149.490
where: short stacking energy: -48.006
Base-Backbone interact. energy: -0.290
local terms energy: -72.114904
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -12.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -188.020169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.020169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.020169 (E_RNA)
where:
Base-Base interactions energy: -115.251
where: short stacking energy: -66.702
Base-Backbone interact. energy: -0.017
local terms energy: -72.752192
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -12.396
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: 4
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -199.063432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.063432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.063432 (E_RNA)
where:
Base-Base interactions energy: -122.968
where: short stacking energy: -70.854
Base-Backbone interact. energy: -0.748
local terms energy: -75.346902
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -19.801
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: 5
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -181.178445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.178445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.178445 (E_RNA)
where:
Base-Base interactions energy: -111.486
where: short stacking energy: -53.766
Base-Backbone interact. energy: -0.292
local terms energy: -69.400404
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -13.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -102.037575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.037575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.037575 (E_RNA)
where:
Base-Base interactions energy: -46.124
where: short stacking energy: -46.124
Base-Backbone interact. energy: -0.020
local terms energy: -55.892906
where:
bonds (distance) C4'-P energy: -9.043
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -12.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -97.294103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.294103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.294103 (E_RNA)
where:
Base-Base interactions energy: -52.469
where: short stacking energy: -34.082
Base-Backbone interact. energy: -1.203
local terms energy: -43.622139
where:
bonds (distance) C4'-P energy: -8.010
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -9.180
flat angles P-C4'-P energy: -5.364
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: 8, replica: 8
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -84.612911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.612911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.612911 (E_RNA)
where:
Base-Base interactions energy: -34.993
where: short stacking energy: -29.921
Base-Backbone interact. energy: -0.216
local terms energy: -49.404007
where:
bonds (distance) C4'-P energy: -9.454
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -8.342
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: 10
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -80.572134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.572134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.572134 (E_RNA)
where:
Base-Base interactions energy: -33.724
where: short stacking energy: -21.728
Base-Backbone interact. energy: -0.162
local terms energy: -46.686370
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -7.750
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -75.682643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.682643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.682643 (E_RNA)
where:
Base-Base interactions energy: -28.679
where: short stacking energy: -28.679
Base-Backbone interact. energy: -0.416
local terms energy: -46.588445
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -8.636
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -2.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -220.404141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.404141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.404141 (E_RNA)
where:
Base-Base interactions energy: -145.262
where: short stacking energy: -58.438
Base-Backbone interact. energy: -1.249
local terms energy: -73.893349
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -21.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -211.319173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.319173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.319173 (E_RNA)
where:
Base-Base interactions energy: -143.840
where: short stacking energy: -57.762
Base-Backbone interact. energy: -0.645
local terms energy: -66.834479
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -13.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -191.015438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.015438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.015438 (E_RNA)
where:
Base-Base interactions energy: -122.321
where: short stacking energy: -57.136
Base-Backbone interact. energy: -0.051
local terms energy: -68.643507
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -7.812
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: 4, replica: 5
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -170.267880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.267880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.267880 (E_RNA)
where:
Base-Base interactions energy: -105.949
where: short stacking energy: -54.674
Base-Backbone interact. energy: -0.628
local terms energy: -63.691476
where:
bonds (distance) C4'-P energy: -8.211
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -16.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -178.809968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.809968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.809968 (E_RNA)
where:
Base-Base interactions energy: -106.434
where: short stacking energy: -56.797
Base-Backbone interact. energy: 0.731
local terms energy: -73.107317
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -14.865
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: 6
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -89.586443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.586443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.586443 (E_RNA)
where:
Base-Base interactions energy: -35.715
where: short stacking energy: -35.715
Base-Backbone interact. energy: -0.014
local terms energy: -53.856931
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -7.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -118.156127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.156127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.156127 (E_RNA)
where:
Base-Base interactions energy: -62.250
where: short stacking energy: -33.791
Base-Backbone interact. energy: -0.302
local terms energy: -55.604540
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -10.473
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -7.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -89.615155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.615155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.615155 (E_RNA)
where:
Base-Base interactions energy: -40.876
where: short stacking energy: -19.420
Base-Backbone interact. energy: -0.651
local terms energy: -48.088449
where:
bonds (distance) C4'-P energy: -8.626
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -6.815
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: 9, replica: 8
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -80.881795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.881795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.881795 (E_RNA)
where:
Base-Base interactions energy: -28.643
where: short stacking energy: -28.643
Base-Backbone interact. energy: 1.490
local terms energy: -53.728664
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -1.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -72.344649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.344649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.344649 (E_RNA)
where:
Base-Base interactions energy: -25.509
where: short stacking energy: -23.748
Base-Backbone interact. energy: -0.116
local terms energy: -46.718727
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -3.873
tors. eta vs tors. theta energy: -1.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -214.736108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.736108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.736108 (E_RNA)
where:
Base-Base interactions energy: -137.995
where: short stacking energy: -51.966
Base-Backbone interact. energy: -1.100
local terms energy: -75.641075
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -15.024
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: 2, replica: 7
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -215.861932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.861932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.861932 (E_RNA)
where:
Base-Base interactions energy: -140.378
where: short stacking energy: -68.729
Base-Backbone interact. energy: -0.003
local terms energy: -75.480972
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -19.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -189.668474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.668474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.668474 (E_RNA)
where:
Base-Base interactions energy: -120.729
where: short stacking energy: -62.709
Base-Backbone interact. energy: 0.074
local terms energy: -69.013004
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -14.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -179.283868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.283868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.283868 (E_RNA)
where:
Base-Base interactions energy: -110.908
where: short stacking energy: -61.350
Base-Backbone interact. energy: -0.505
local terms energy: -67.870369
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -12.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -153.385476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.385476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.385476 (E_RNA)
where:
Base-Base interactions energy: -96.128
where: short stacking energy: -45.443
Base-Backbone interact. energy: -0.161
local terms energy: -57.096361
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -10.781
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -5.973
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: 286
Temperature: 1.150000
Total energy: -101.360053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.360053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.360053 (E_RNA)
where:
Base-Base interactions energy: -43.529
where: short stacking energy: -35.393
Base-Backbone interact. energy: -0.744
local terms energy: -57.086498
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -5.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -119.706274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.706274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.706274 (E_RNA)
where:
Base-Base interactions energy: -68.411
where: short stacking energy: -31.551
Base-Backbone interact. energy: -0.940
local terms energy: -50.355068
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -11.863
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -1.142
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: 8, replica: 10
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -105.866399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.866399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.866399 (E_RNA)
where:
Base-Base interactions energy: -53.629
where: short stacking energy: -28.831
Base-Backbone interact. energy: -0.145
local terms energy: -52.091764
where:
bonds (distance) C4'-P energy: -9.486
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -5.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -82.448328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.448328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.448328 (E_RNA)
where:
Base-Base interactions energy: -29.627
where: short stacking energy: -29.627
Base-Backbone interact. energy: -0.024
local terms energy: -52.797934
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -9.680
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -6.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -75.503145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.503145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.503145 (E_RNA)
where:
Base-Base interactions energy: -31.160
where: short stacking energy: -20.916
Base-Backbone interact. energy: 0.145
local terms energy: -44.487874
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -7.687
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: 1, replica: 1
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -220.327596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.327596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.327596 (E_RNA)
where:
Base-Base interactions energy: -144.567
where: short stacking energy: -52.102
Base-Backbone interact. energy: -1.027
local terms energy: -74.734495
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -13.495
tors. eta vs tors. theta energy: -15.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -196.541912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.541912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.541912 (E_RNA)
where:
Base-Base interactions energy: -129.696
where: short stacking energy: -62.333
Base-Backbone interact. energy: -0.026
local terms energy: -66.820585
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -15.179
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: 287
Temperature: 1.000000
Total energy: -214.471141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.471141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.471141 (E_RNA)
where:
Base-Base interactions energy: -139.370
where: short stacking energy: -68.322
Base-Backbone interact. energy: 0.212
local terms energy: -75.313091
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -17.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -178.221244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.221244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.221244 (E_RNA)
where:
Base-Base interactions energy: -107.647
where: short stacking energy: -58.124
Base-Backbone interact. energy: -0.088
local terms energy: -70.486059
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -15.207
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -16.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -161.837991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.837991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.837991 (E_RNA)
where:
Base-Base interactions energy: -92.344
where: short stacking energy: -49.988
Base-Backbone interact. energy: -0.023
local terms energy: -69.470968
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -13.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -89.486748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.486748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.486748 (E_RNA)
where:
Base-Base interactions energy: -39.078
where: short stacking energy: -37.463
Base-Backbone interact. energy: -0.027
local terms energy: -50.381944
where:
bonds (distance) C4'-P energy: -6.427
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -6.245
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: 6
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -87.958267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.958267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.958267 (E_RNA)
where:
Base-Base interactions energy: -40.388
where: short stacking energy: -35.605
Base-Backbone interact. energy: -0.365
local terms energy: -47.205382
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -10.553
flat angles P-C4'-P energy: -6.188
tors. eta vs tors. theta energy: -2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -94.336283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.336283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.336283 (E_RNA)
where:
Base-Base interactions energy: -45.853
where: short stacking energy: -35.013
Base-Backbone interact. energy: -0.351
local terms energy: -48.132403
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -10.086
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -1.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -82.619560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.619560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.619560 (E_RNA)
where:
Base-Base interactions energy: -32.874
where: short stacking energy: -26.696
Base-Backbone interact. energy: 0.426
local terms energy: -50.171423
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -10.207
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -4.611
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: 10, replica: 8
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -76.803706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.803706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.803706 (E_RNA)
where:
Base-Base interactions energy: -32.102
where: short stacking energy: -23.725
Base-Backbone interact. energy: -0.024
local terms energy: -44.678219
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -11.387
flat angles P-C4'-P energy: -5.133
tors. eta vs tors. theta energy: -1.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -219.913392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.913392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.913392 (E_RNA)
where:
Base-Base interactions energy: -151.048
where: short stacking energy: -52.763
Base-Backbone interact. energy: -0.206
local terms energy: -68.660021
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -16.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -199.334567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.334567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.334567 (E_RNA)
where:
Base-Base interactions energy: -125.832
where: short stacking energy: -69.830
Base-Backbone interact. energy: 0.360
local terms energy: -73.861943
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -18.713
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: 3, replica: 7
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -209.146945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.146945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.146945 (E_RNA)
where:
Base-Base interactions energy: -133.712
where: short stacking energy: -67.361
Base-Backbone interact. energy: -0.003
local terms energy: -75.431408
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -18.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -180.547995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.547995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.547995 (E_RNA)
where:
Base-Base interactions energy: -109.636
where: short stacking energy: -58.802
Base-Backbone interact. energy: -0.318
local terms energy: -70.594199
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -15.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -175.661001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.661001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.661001 (E_RNA)
where:
Base-Base interactions energy: -109.102
where: short stacking energy: -51.077
Base-Backbone interact. energy: -0.599
local terms energy: -65.959955
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -13.910
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -12.251
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: 6, replica: 2
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -92.738442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.738442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.738442 (E_RNA)
where:
Base-Base interactions energy: -40.256
where: short stacking energy: -35.018
Base-Backbone interact. energy: -0.498
local terms energy: -51.984640
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -10.733
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -4.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -102.155213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.155213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.155213 (E_RNA)
where:
Base-Base interactions energy: -45.347
where: short stacking energy: -44.004
Base-Backbone interact. energy: -0.213
local terms energy: -56.595601
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -10.227
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -11.905
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: 8, replica: 9
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -75.040938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.040938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.040938 (E_RNA)
where:
Base-Base interactions energy: -25.099
where: short stacking energy: -21.503
Base-Backbone interact. energy: -0.159
local terms energy: -49.782960
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -0.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -90.004185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.004185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.004185 (E_RNA)
where:
Base-Base interactions energy: -27.074
where: short stacking energy: -27.074
Base-Backbone interact. energy: -0.059
local terms energy: -62.870917
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -5.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -87.179058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.179058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.179058 (E_RNA)
where:
Base-Base interactions energy: -30.580
where: short stacking energy: -30.419
Base-Backbone interact. energy: -0.050
local terms energy: -56.549440
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -8.163
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: 1, replica: 1
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -222.673295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.673295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.673295 (E_RNA)
where:
Base-Base interactions energy: -148.944
where: short stacking energy: -58.412
Base-Backbone interact. energy: -0.345
local terms energy: -73.383741
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -14.545
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: 7
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -227.559857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.559857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.559857 (E_RNA)
where:
Base-Base interactions energy: -142.401
where: short stacking energy: -64.071
Base-Backbone interact. energy: -1.746
local terms energy: -83.412658
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -14.731
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: 3, replica: 3
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -182.602222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.602222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.602222 (E_RNA)
where:
Base-Base interactions energy: -112.345
where: short stacking energy: -66.011
Base-Backbone interact. energy: -0.045
local terms energy: -70.211930
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -15.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -170.128367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.128367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.128367 (E_RNA)
where:
Base-Base interactions energy: -110.457
where: short stacking energy: -51.128
Base-Backbone interact. energy: -0.794
local terms energy: -58.877535
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -11.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -180.397357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.397357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.397357 (E_RNA)
where:
Base-Base interactions energy: -108.781
where: short stacking energy: -58.365
Base-Backbone interact. energy: -0.511
local terms energy: -71.105555
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -14.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -97.481072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.481072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.481072 (E_RNA)
where:
Base-Base interactions energy: -37.445
where: short stacking energy: -35.600
Base-Backbone interact. energy: 1.941
local terms energy: -61.976798
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -13.357
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: 7, replica: 2
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -93.623927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.623927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.623927 (E_RNA)
where:
Base-Base interactions energy: -34.030
where: short stacking energy: -32.111
Base-Backbone interact. energy: -0.270
local terms energy: -59.324233
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -11.018
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -9.489
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: 8
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -100.508993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.508993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.508993 (E_RNA)
where:
Base-Base interactions energy: -54.328
where: short stacking energy: -27.338
Base-Backbone interact. energy: -0.145
local terms energy: -46.036112
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -10.342
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -1.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -81.797359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.797359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.797359 (E_RNA)
where:
Base-Base interactions energy: -31.904
where: short stacking energy: -29.043
Base-Backbone interact. energy: -0.001
local terms energy: -49.891867
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -7.081
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -2.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -86.202577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.202577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.202577 (E_RNA)
where:
Base-Base interactions energy: -34.747
where: short stacking energy: -34.747
Base-Backbone interact. energy: -0.016
local terms energy: -51.439804
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -3.180
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: 1, replica: 7
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -227.464269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.464269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.464269 (E_RNA)
where:
Base-Base interactions energy: -149.775
where: short stacking energy: -68.409
Base-Backbone interact. energy: -0.927
local terms energy: -76.762198
where:
bonds (distance) C4'-P energy: -12.139
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -19.060
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: 1
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -222.281463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.281463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.281463 (E_RNA)
where:
Base-Base interactions energy: -147.550
where: short stacking energy: -63.177
Base-Backbone interact. energy: -0.747
local terms energy: -73.984962
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -16.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -187.180970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.180970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.180970 (E_RNA)
where:
Base-Base interactions energy: -114.831
where: short stacking energy: -60.036
Base-Backbone interact. energy: -0.043
local terms energy: -72.307403
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -12.648
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: 4
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -168.971379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.971379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.971379 (E_RNA)
where:
Base-Base interactions energy: -110.558
where: short stacking energy: -49.021
Base-Backbone interact. energy: -0.058
local terms energy: -58.355378
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -11.155
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -9.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -177.814777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.814777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.814777 (E_RNA)
where:
Base-Base interactions energy: -107.302
where: short stacking energy: -48.294
Base-Backbone interact. energy: -0.930
local terms energy: -69.582367
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -14.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -98.199961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.199961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.199961 (E_RNA)
where:
Base-Base interactions energy: -43.343
where: short stacking energy: -43.343
Base-Backbone interact. energy: -0.189
local terms energy: -54.668060
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -7.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -119.907990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.907990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.907990 (E_RNA)
where:
Base-Base interactions energy: -63.983
where: short stacking energy: -39.457
Base-Backbone interact. energy: -0.973
local terms energy: -54.952263
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -3.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -81.398451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.398451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.398451 (E_RNA)
where:
Base-Base interactions energy: -35.016
where: short stacking energy: -30.054
Base-Backbone interact. energy: -0.543
local terms energy: -45.839672
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -11.426
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -3.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -78.121514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.121514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.121514 (E_RNA)
where:
Base-Base interactions energy: -30.311
where: short stacking energy: -25.637
Base-Backbone interact. energy: -0.229
local terms energy: -47.581137
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -11.641
flat angles P-C4'-P energy: -5.305
tors. eta vs tors. theta energy: -4.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -80.065944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.065944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.065944 (E_RNA)
where:
Base-Base interactions energy: -33.546
where: short stacking energy: -31.837
Base-Backbone interact. energy: -0.099
local terms energy: -46.421088
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -5.729
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: 7
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -225.753574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.753574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.753574 (E_RNA)
where:
Base-Base interactions energy: -144.352
where: short stacking energy: -66.494
Base-Backbone interact. energy: -1.296
local terms energy: -80.105794
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -13.757
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: 2, replica: 1
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -224.109314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.109314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.109314 (E_RNA)
where:
Base-Base interactions energy: -148.648
where: short stacking energy: -69.313
Base-Backbone interact. energy: -0.371
local terms energy: -75.090482
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -9.597
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: 3, replica: 3
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -188.904089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.904089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.904089 (E_RNA)
where:
Base-Base interactions energy: -115.684
where: short stacking energy: -54.658
Base-Backbone interact. energy: 0.770
local terms energy: -73.989715
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -18.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -171.307629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.307629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.307629 (E_RNA)
where:
Base-Base interactions energy: -109.115
where: short stacking energy: -53.781
Base-Backbone interact. energy: -0.018
local terms energy: -62.175025
where:
bonds (distance) C4'-P energy: -10.688
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -15.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -174.618301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.618301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.618301 (E_RNA)
where:
Base-Base interactions energy: -111.097
where: short stacking energy: -60.319
Base-Backbone interact. energy: -0.095
local terms energy: -63.426171
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -14.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -108.743701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.743701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.743701 (E_RNA)
where:
Base-Base interactions energy: -55.408
where: short stacking energy: -36.496
Base-Backbone interact. energy: -0.071
local terms energy: -53.265054
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -5.918
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -94.792054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.792054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.792054 (E_RNA)
where:
Base-Base interactions energy: -40.869
where: short stacking energy: -40.869
Base-Backbone interact. energy: -0.015
local terms energy: -53.908418
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -10.731
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -5.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -83.051790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.051790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.051790 (E_RNA)
where:
Base-Base interactions energy: -33.210
where: short stacking energy: -27.129
Base-Backbone interact. energy: -0.023
local terms energy: -49.818739
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -9.736
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -2.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -92.412642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.412642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.412642 (E_RNA)
where:
Base-Base interactions energy: -50.520
where: short stacking energy: -30.853
Base-Backbone interact. energy: 0.169
local terms energy: -42.061877
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -1.387
tors. eta vs tors. theta energy: -2.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -74.775729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.775729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.775729 (E_RNA)
where:
Base-Base interactions energy: -32.363
where: short stacking energy: -29.642
Base-Backbone interact. energy: 2.129
local terms energy: -44.541483
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -11.087
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -231.280485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.280485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.280485 (E_RNA)
where:
Base-Base interactions energy: -149.613
where: short stacking energy: -74.602
Base-Backbone interact. energy: -0.009
local terms energy: -81.658659
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -20.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -224.855304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.855304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.855304 (E_RNA)
where:
Base-Base interactions energy: -155.973
where: short stacking energy: -74.995
Base-Backbone interact. energy: -0.005
local terms energy: -68.877062
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: 0.219
tors. eta vs tors. theta energy: -21.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -190.825717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.825717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.825717 (E_RNA)
where:
Base-Base interactions energy: -117.983
where: short stacking energy: -66.266
Base-Backbone interact. energy: -0.074
local terms energy: -72.768803
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -10.242
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: 5
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -180.498570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.498570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.498570 (E_RNA)
where:
Base-Base interactions energy: -110.238
where: short stacking energy: -61.156
Base-Backbone interact. energy: -0.040
local terms energy: -70.220119
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -14.372
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: 4
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -164.872905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.872905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.872905 (E_RNA)
where:
Base-Base interactions energy: -100.590
where: short stacking energy: -55.832
Base-Backbone interact. energy: -0.112
local terms energy: -64.171099
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -14.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -106.605231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.605231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.605231 (E_RNA)
where:
Base-Base interactions energy: -48.688
where: short stacking energy: -37.559
Base-Backbone interact. energy: -0.374
local terms energy: -57.542977
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -7.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -90.876143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.876143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.876143 (E_RNA)
where:
Base-Base interactions energy: -36.545
where: short stacking energy: -36.545
Base-Backbone interact. energy: 0.624
local terms energy: -54.955072
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -5.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -79.655333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.655333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.655333 (E_RNA)
where:
Base-Base interactions energy: -29.736
where: short stacking energy: -29.314
Base-Backbone interact. energy: -0.216
local terms energy: -49.703817
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -9.118
flat angles P-C4'-P energy: -11.893
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: 292
Temperature: 1.300000
Total energy: -90.386090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.386090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.386090 (E_RNA)
where:
Base-Base interactions energy: -45.552
where: short stacking energy: -23.815
Base-Backbone interact. energy: -0.116
local terms energy: -44.717842
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -6.458
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -0.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -87.536906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.536906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.536906 (E_RNA)
where:
Base-Base interactions energy: -37.862
where: short stacking energy: -37.721
Base-Backbone interact. energy: -0.098
local terms energy: -49.577352
where:
bonds (distance) C4'-P energy: -9.295
bonds (distance) P-C4' energy: -5.915
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -8.049
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: 7
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -223.452814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.452814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.452814 (E_RNA)
where:
Base-Base interactions energy: -147.127
where: short stacking energy: -78.126
Base-Backbone interact. energy: -0.760
local terms energy: -75.565652
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -10.540
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: 3
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -190.088477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.088477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.088477 (E_RNA)
where:
Base-Base interactions energy: -114.991
where: short stacking energy: -69.791
Base-Backbone interact. energy: -0.586
local terms energy: -74.511436
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -14.082
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: 1
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -204.137990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.137990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.137990 (E_RNA)
where:
Base-Base interactions energy: -131.116
where: short stacking energy: -59.017
Base-Backbone interact. energy: -1.739
local terms energy: -71.282582
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -9.203
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -22.136
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: 293
Temperature: 1.050000
Total energy: -187.527403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.527403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.527403 (E_RNA)
where:
Base-Base interactions energy: -117.133
where: short stacking energy: -68.320
Base-Backbone interact. energy: -0.012
local terms energy: -70.382208
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -10.534
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: 5, replica: 5
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -180.560733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.560733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.560733 (E_RNA)
where:
Base-Base interactions energy: -104.329
where: short stacking energy: -52.555
Base-Backbone interact. energy: -0.847
local terms energy: -75.385152
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -18.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -93.794837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.794837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.794837 (E_RNA)
where:
Base-Base interactions energy: -44.671
where: short stacking energy: -31.333
Base-Backbone interact. energy: -1.099
local terms energy: -48.025456
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -10.717
flat angles C4'-P-C4' energy: -11.828
flat angles P-C4'-P energy: -9.896
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: 7, replica: 2
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -96.274568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.274568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.274568 (E_RNA)
where:
Base-Base interactions energy: -46.851
where: short stacking energy: -21.868
Base-Backbone interact. energy: -0.453
local terms energy: -48.971115
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -16.363
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: 2.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -86.402412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.402412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.402412 (E_RNA)
where:
Base-Base interactions energy: -26.640
where: short stacking energy: -26.640
Base-Backbone interact. energy: -0.069
local terms energy: -59.693436
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -12.295
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: 9, replica: 6
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -93.798012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.798012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.798012 (E_RNA)
where:
Base-Base interactions energy: -46.435
where: short stacking energy: -26.622
Base-Backbone interact. energy: -0.264
local terms energy: -47.099088
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -7.489
flat angles P-C4'-P energy: -7.354
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: 10, replica: 10
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -78.332788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.332788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.332788 (E_RNA)
where:
Base-Base interactions energy: -24.228
where: short stacking energy: -20.347
Base-Backbone interact. energy: -0.521
local terms energy: -53.584193
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -2.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -228.772091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.772091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.772091 (E_RNA)
where:
Base-Base interactions energy: -149.007
where: short stacking energy: -74.723
Base-Backbone interact. energy: -0.001
local terms energy: -79.764752
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -22.190
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: 3
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -197.812898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.812898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.812898 (E_RNA)
where:
Base-Base interactions energy: -124.373
where: short stacking energy: -69.178
Base-Backbone interact. energy: -0.001
local terms energy: -73.438830
where:
bonds (distance) C4'-P energy: -10.508
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -20.445
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: 4
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -190.796630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.796630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.796630 (E_RNA)
where:
Base-Base interactions energy: -126.978
where: short stacking energy: -62.924
Base-Backbone interact. energy: -0.484
local terms energy: -63.334584
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -11.037
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -15.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -203.701748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.701748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.701748 (E_RNA)
where:
Base-Base interactions energy: -141.048
where: short stacking energy: -60.062
Base-Backbone interact. energy: -0.111
local terms energy: -62.542946
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -11.420
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -12.948
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: 5
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -193.273737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.273737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.273737 (E_RNA)
where:
Base-Base interactions energy: -120.409
where: short stacking energy: -65.041
Base-Backbone interact. energy: -0.030
local terms energy: -72.835139
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -11.185
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: 6, replica: 9
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -97.496092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.496092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.496092 (E_RNA)
where:
Base-Base interactions energy: -39.533
where: short stacking energy: -33.951
Base-Backbone interact. energy: -0.001
local terms energy: -57.961930
where:
bonds (distance) C4'-P energy: -10.316
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -7.633
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: 7, replica: 8
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -89.592298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.592298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.592298 (E_RNA)
where:
Base-Base interactions energy: -39.961
where: short stacking energy: -39.961
Base-Backbone interact. energy: -0.032
local terms energy: -49.598903
where:
bonds (distance) C4'-P energy: -7.879
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -4.757
tors. eta vs tors. theta energy: -6.054
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: 2
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -77.631881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.631881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.631881 (E_RNA)
where:
Base-Base interactions energy: -34.828
where: short stacking energy: -32.620
Base-Backbone interact. energy: 0.117
local terms energy: -42.921665
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -3.554
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: 10
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -92.665445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.665445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.665445 (E_RNA)
where:
Base-Base interactions energy: -36.000
where: short stacking energy: -25.126
Base-Backbone interact. energy: -0.136
local terms energy: -56.529744
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -1.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -84.408000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.408000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.408000 (E_RNA)
where:
Base-Base interactions energy: -35.569
where: short stacking energy: -35.569
Base-Backbone interact. energy: 0.248
local terms energy: -49.087822
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -4.639
tors. eta vs tors. theta energy: -9.210
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: 7
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -224.258929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.258929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.258929 (E_RNA)
where:
Base-Base interactions energy: -139.543
where: short stacking energy: -69.405
Base-Backbone interact. energy: -0.980
local terms energy: -83.735901
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -20.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -193.529227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.529227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.529227 (E_RNA)
where:
Base-Base interactions energy: -117.298
where: short stacking energy: -50.295
Base-Backbone interact. energy: -1.187
local terms energy: -75.044624
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -7.995
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: 3, replica: 3
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -186.320861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.320861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.320861 (E_RNA)
where:
Base-Base interactions energy: -114.472
where: short stacking energy: -61.584
Base-Backbone interact. energy: -0.093
local terms energy: -71.755994
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -16.999
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: 1
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -195.902953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.902953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.902953 (E_RNA)
where:
Base-Base interactions energy: -128.081
where: short stacking energy: -56.286
Base-Backbone interact. energy: 1.827
local terms energy: -69.648746
where:
bonds (distance) C4'-P energy: -9.164
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -13.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -170.408593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.408593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.408593 (E_RNA)
where:
Base-Base interactions energy: -110.478
where: short stacking energy: -50.348
Base-Backbone interact. energy: -0.154
local terms energy: -59.776523
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -8.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -102.415933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.415933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.415933 (E_RNA)
where:
Base-Base interactions energy: -47.173
where: short stacking energy: -47.173
Base-Backbone interact. energy: -0.123
local terms energy: -55.119489
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -3.466
tors. eta vs tors. theta energy: -10.918
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: 7, replica: 9
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -105.673397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.673397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.673397 (E_RNA)
where:
Base-Base interactions energy: -54.373
where: short stacking energy: -43.284
Base-Backbone interact. energy: -0.098
local terms energy: -51.202113
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -9.895
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -3.265
tors. eta vs tors. theta energy: -8.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -88.394963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.394963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.394963 (E_RNA)
where:
Base-Base interactions energy: -46.352
where: short stacking energy: -23.538
Base-Backbone interact. energy: 1.091
local terms energy: -43.133747
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -8.810
flat angles C4'-P-C4' energy: -8.543
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -2.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -83.467938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.467938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.467938 (E_RNA)
where:
Base-Base interactions energy: -33.254
where: short stacking energy: -28.478
Base-Backbone interact. energy: -0.110
local terms energy: -50.104617
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -17.024
flat angles C4'-P-C4' energy: -9.846
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -2.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -80.314754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.314754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.314754 (E_RNA)
where:
Base-Base interactions energy: -24.420
where: short stacking energy: -23.014
Base-Backbone interact. energy: -0.137
local terms energy: -55.758170
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -1.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -213.764225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.764225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.764225 (E_RNA)
where:
Base-Base interactions energy: -139.331
where: short stacking energy: -71.474
Base-Backbone interact. energy: -0.003
local terms energy: -74.429961
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -15.197
tors. eta vs tors. theta energy: -19.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -191.233949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.233949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.233949 (E_RNA)
where:
Base-Base interactions energy: -118.010
where: short stacking energy: -59.765
Base-Backbone interact. energy: -0.926
local terms energy: -72.298382
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -15.491
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: 1
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -211.688980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.688980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.688980 (E_RNA)
where:
Base-Base interactions energy: -143.269
where: short stacking energy: -52.526
Base-Backbone interact. energy: -0.279
local terms energy: -68.140103
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -17.886
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: 4, replica: 3
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -184.598978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.598978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.598978 (E_RNA)
where:
Base-Base interactions energy: -113.654
where: short stacking energy: -59.573
Base-Backbone interact. energy: -0.114
local terms energy: -70.831423
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -6.427
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: 5
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -176.265867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.265867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.265867 (E_RNA)
where:
Base-Base interactions energy: -119.036
where: short stacking energy: -53.903
Base-Backbone interact. energy: -0.175
local terms energy: -57.054348
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: -11.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -101.501528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.501528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.501528 (E_RNA)
where:
Base-Base interactions energy: -41.037
where: short stacking energy: -38.676
Base-Backbone interact. energy: 0.451
local terms energy: -60.916122
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -9.755
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: 7, replica: 10
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -102.689035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.689035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.689035 (E_RNA)
where:
Base-Base interactions energy: -48.922
where: short stacking energy: -32.009
Base-Backbone interact. energy: -0.652
local terms energy: -53.115401
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -0.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -91.012080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.012080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.012080 (E_RNA)
where:
Base-Base interactions energy: -44.900
where: short stacking energy: -29.724
Base-Backbone interact. energy: -0.732
local terms energy: -45.379656
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: 2.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -85.872417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.872417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.872417 (E_RNA)
where:
Base-Base interactions energy: -31.479
where: short stacking energy: -30.390
Base-Backbone interact. energy: -0.007
local terms energy: -54.386991
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -5.100
tors. eta vs tors. theta energy: -3.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -83.758707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.758707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.758707 (E_RNA)
where:
Base-Base interactions energy: -30.934
where: short stacking energy: -29.357
Base-Backbone interact. energy: -0.015
local terms energy: -52.810130
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -9.553
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -4.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -219.146825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.146825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.146825 (E_RNA)
where:
Base-Base interactions energy: -140.050
where: short stacking energy: -68.211
Base-Backbone interact. energy: -0.002
local terms energy: -79.094272
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -20.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -215.154620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.154620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.154620 (E_RNA)
where:
Base-Base interactions energy: -145.426
where: short stacking energy: -64.662
Base-Backbone interact. energy: -0.081
local terms energy: -69.647356
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -16.506
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: 4
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -184.186621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.186621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.186621 (E_RNA)
where:
Base-Base interactions energy: -115.023
where: short stacking energy: -63.893
Base-Backbone interact. energy: -0.076
local terms energy: -69.086928
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -17.767
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: 3
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -181.912490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.912490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.912490 (E_RNA)
where:
Base-Base interactions energy: -111.309
where: short stacking energy: -53.758
Base-Backbone interact. energy: -0.017
local terms energy: -70.586034
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -17.736
flat angles C4'-P-C4' energy: -18.536
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -15.185
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: 5
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -157.343984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.343984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.343984 (E_RNA)
where:
Base-Base interactions energy: -94.601
where: short stacking energy: -52.296
Base-Backbone interact. energy: -0.020
local terms energy: -62.723159
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -10.050
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -11.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -117.532315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.532315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.532315 (E_RNA)
where:
Base-Base interactions energy: -65.570
where: short stacking energy: -33.706
Base-Backbone interact. energy: -0.093
local terms energy: -51.869347
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: 0.276
tors. eta vs tors. theta energy: -6.446
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: 8
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -109.002570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.002570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.002570 (E_RNA)
where:
Base-Base interactions energy: -50.065
where: short stacking energy: -50.065
Base-Backbone interact. energy: -0.032
local terms energy: -58.905526
where:
bonds (distance) C4'-P energy: -9.561
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: -12.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -88.960809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.960809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.960809 (E_RNA)
where:
Base-Base interactions energy: -35.591
where: short stacking energy: -19.234
Base-Backbone interact. energy: -0.990
local terms energy: -52.379587
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -8.192
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: 9, replica: 9
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -84.848629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.848629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.848629 (E_RNA)
where:
Base-Base interactions energy: -31.323
where: short stacking energy: -29.943
Base-Backbone interact. energy: -0.214
local terms energy: -53.310825
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -10.530
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: 10, replica: 2
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -77.692151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.692151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.692151 (E_RNA)
where:
Base-Base interactions energy: -22.549
where: short stacking energy: -22.549
Base-Backbone interact. energy: -0.146
local terms energy: -54.997568
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -0.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -225.453655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.453655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.453655 (E_RNA)
where:
Base-Base interactions energy: -150.140
where: short stacking energy: -64.863
Base-Backbone interact. energy: -0.016
local terms energy: -75.297717
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -17.785
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -18.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -217.691585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.691585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.691585 (E_RNA)
where:
Base-Base interactions energy: -151.923
where: short stacking energy: -59.967
Base-Backbone interact. energy: -0.988
local terms energy: -64.780037
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -14.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -194.537412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.537412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.537412 (E_RNA)
where:
Base-Base interactions energy: -122.362
where: short stacking energy: -66.152
Base-Backbone interact. energy: 0.843
local terms energy: -73.019178
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -12.366
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: 3
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -167.209637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.209637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.209637 (E_RNA)
where:
Base-Base interactions energy: -100.543
where: short stacking energy: -48.890
Base-Backbone interact. energy: -1.128
local terms energy: -65.537879
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -14.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -165.273575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.273575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.273575 (E_RNA)
where:
Base-Base interactions energy: -104.973
where: short stacking energy: -60.699
Base-Backbone interact. energy: -0.227
local terms energy: -60.073488
where:
bonds (distance) C4'-P energy: -9.332
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -12.380
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: 10
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -100.591703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.591703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.591703 (E_RNA)
where:
Base-Base interactions energy: -48.361
where: short stacking energy: -36.255
Base-Backbone interact. energy: -0.104
local terms energy: -52.127289
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -3.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -100.381742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.381742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.381742 (E_RNA)
where:
Base-Base interactions energy: -43.264
where: short stacking energy: -40.427
Base-Backbone interact. energy: -0.287
local terms energy: -56.830454
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -6.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -78.292305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.292305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.292305 (E_RNA)
where:
Base-Base interactions energy: -26.031
where: short stacking energy: -19.089
Base-Backbone interact. energy: 0.973
local terms energy: -53.234304
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: 1.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -86.871595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.871595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.871595 (E_RNA)
where:
Base-Base interactions energy: -42.064
where: short stacking energy: -24.041
Base-Backbone interact. energy: -0.404
local terms energy: -44.403995
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -9.786
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -5.272
tors. eta vs tors. theta energy: -0.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -74.473644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.473644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.473644 (E_RNA)
where:
Base-Base interactions energy: -27.403
where: short stacking energy: -23.340
Base-Backbone interact. energy: -0.246
local terms energy: -46.824793
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: 1.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -227.440501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.440501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.440501 (E_RNA)
where:
Base-Base interactions energy: -144.424
where: short stacking energy: -69.705
Base-Backbone interact. energy: -0.822
local terms energy: -82.194124
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -18.057
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -20.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -221.278741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.278741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.278741 (E_RNA)
where:
Base-Base interactions energy: -147.944
where: short stacking energy: -64.825
Base-Backbone interact. energy: -1.563
local terms energy: -71.772376
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -19.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -194.026824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.026824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.026824 (E_RNA)
where:
Base-Base interactions energy: -121.712
where: short stacking energy: -70.366
Base-Backbone interact. energy: -0.402
local terms energy: -71.912729
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -17.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -176.080357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.080357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.080357 (E_RNA)
where:
Base-Base interactions energy: -110.573
where: short stacking energy: -52.182
Base-Backbone interact. energy: -0.460
local terms energy: -65.048005
where:
bonds (distance) C4'-P energy: -10.317
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -13.893
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: 5, replica: 3
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -185.126130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.126130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.126130 (E_RNA)
where:
Base-Base interactions energy: -112.522
where: short stacking energy: -64.051
Base-Backbone interact. energy: -0.103
local terms energy: -72.501569
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -16.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -138.982405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.982405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.982405 (E_RNA)
where:
Base-Base interactions energy: -76.193
where: short stacking energy: -49.061
Base-Backbone interact. energy: -0.105
local terms energy: -62.683494
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -12.981
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -10.363
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: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -94.727712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.727712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.727712 (E_RNA)
where:
Base-Base interactions energy: -39.325
where: short stacking energy: -39.325
Base-Backbone interact. energy: -0.006
local terms energy: -55.396898
where:
bonds (distance) C4'-P energy: -7.805
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -9.448
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -10.443
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: 2
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -86.473089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.473089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.473089 (E_RNA)
where:
Base-Base interactions energy: -37.182
where: short stacking energy: -22.324
Base-Backbone interact. energy: -0.152
local terms energy: -49.139756
where:
bonds (distance) C4'-P energy: -8.740
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -11.338
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: 9, replica: 8
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -85.587396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.587396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.587396 (E_RNA)
where:
Base-Base interactions energy: -33.872
where: short stacking energy: -30.118
Base-Backbone interact. energy: -0.931
local terms energy: -50.783837
where:
bonds (distance) C4'-P energy: -11.934
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -4.902
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: 10, replica: 9
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -77.589720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.589720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.589720 (E_RNA)
where:
Base-Base interactions energy: -32.896
where: short stacking energy: -30.417
Base-Backbone interact. energy: -0.127
local terms energy: -44.566514
where:
bonds (distance) C4'-P energy: -9.786
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -3.290
tors. eta vs tors. theta energy: -2.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -224.771640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.771640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.771640 (E_RNA)
where:
Base-Base interactions energy: -144.710
where: short stacking energy: -64.094
Base-Backbone interact. energy: -0.096
local terms energy: -79.966174
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -17.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -219.723131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.723131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.723131 (E_RNA)
where:
Base-Base interactions energy: -141.655
where: short stacking energy: -65.228
Base-Backbone interact. energy: -0.045
local terms energy: -78.022465
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -20.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -183.368540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.368540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.368540 (E_RNA)
where:
Base-Base interactions energy: -110.680
where: short stacking energy: -63.946
Base-Backbone interact. energy: -0.179
local terms energy: -72.509587
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -18.405
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: 4
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -178.169316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.169316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.169316 (E_RNA)
where:
Base-Base interactions energy: -106.718
where: short stacking energy: -61.966
Base-Backbone interact. energy: -0.340
local terms energy: -71.111819
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -17.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -166.907600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.907600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.907600 (E_RNA)
where:
Base-Base interactions energy: -111.361
where: short stacking energy: -43.780
Base-Backbone interact. energy: -0.695
local terms energy: -54.851005
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: 0.212
tors. eta vs tors. theta energy: -11.639
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: 300
Temperature: 1.150000
Total energy: -141.961894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.961894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.961894 (E_RNA)
where:
Base-Base interactions energy: -88.486
where: short stacking energy: -57.673
Base-Backbone interact. energy: 1.645
local terms energy: -55.121420
where:
bonds (distance) C4'-P energy: -7.438
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -11.910
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: 10
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -91.157069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.157069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.157069 (E_RNA)
where:
Base-Base interactions energy: -39.931
where: short stacking energy: -36.696
Base-Backbone interact. energy: -0.137
local terms energy: -51.088709
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -6.062
tors. eta vs tors. theta energy: -5.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -95.138692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.138692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.138692 (E_RNA)
where:
Base-Base interactions energy: -30.026
where: short stacking energy: -30.026
Base-Backbone interact. energy: -0.001
local terms energy: -65.111886
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -11.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -82.628981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.628981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.628981 (E_RNA)
where:
Base-Base interactions energy: -31.759
where: short stacking energy: -27.813
Base-Backbone interact. energy: -0.526
local terms energy: -50.343907
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -1.343
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: 8
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -84.179372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.179372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.179372 (E_RNA)
where:
Base-Base interactions energy: -34.166
where: short stacking energy: -26.056
Base-Backbone interact. energy: -0.371
local terms energy: -49.643019
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -8.153
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -3.210
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: 7
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -225.529697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.529697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.529697 (E_RNA)
where:
Base-Base interactions energy: -145.655
where: short stacking energy: -68.487
Base-Backbone interact. energy: -0.010
local terms energy: -79.864827
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -21.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -222.415005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.415005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.415005 (E_RNA)
where:
Base-Base interactions energy: -143.942
where: short stacking energy: -69.973
Base-Backbone interact. energy: -1.899
local terms energy: -76.573806
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -20.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -187.806748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.806748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.806748 (E_RNA)
where:
Base-Base interactions energy: -116.904
where: short stacking energy: -65.279
Base-Backbone interact. energy: -0.082
local terms energy: -70.821130
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -18.311
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: 4
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -173.292670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.292670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.292670 (E_RNA)
where:
Base-Base interactions energy: -109.387
where: short stacking energy: -65.786
Base-Backbone interact. energy: -0.004
local terms energy: -63.901498
where:
bonds (distance) C4'-P energy: -9.469
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -13.824
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: 5, replica: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -179.509082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.509082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.509082 (E_RNA)
where:
Base-Base interactions energy: -111.717
where: short stacking energy: -62.105
Base-Backbone interact. energy: -0.461
local terms energy: -67.330669
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -12.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -135.511054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.511054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.511054 (E_RNA)
where:
Base-Base interactions energy: -76.626
where: short stacking energy: -42.000
Base-Backbone interact. energy: -0.933
local terms energy: -57.951903
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -11.206
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: 7, replica: 10
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -104.665631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.665631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.665631 (E_RNA)
where:
Base-Base interactions energy: -41.316
where: short stacking energy: -41.316
Base-Backbone interact. energy: -0.130
local terms energy: -63.220279
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -11.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -100.890098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.890098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.890098 (E_RNA)
where:
Base-Base interactions energy: -44.811
where: short stacking energy: -44.811
Base-Backbone interact. energy: -0.014
local terms energy: -56.064790
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -8.274
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: 9, replica: 9
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -92.565540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.565540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.565540 (E_RNA)
where:
Base-Base interactions energy: -28.614
where: short stacking energy: -28.614
Base-Backbone interact. energy: -0.071
local terms energy: -63.880147
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -10.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -81.760718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.760718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.760718 (E_RNA)
where:
Base-Base interactions energy: -34.068
where: short stacking energy: -34.068
Base-Backbone interact. energy: 0.111
local terms energy: -47.804014
where:
bonds (distance) C4'-P energy: -10.057
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -12.365
flat angles P-C4'-P energy: -4.902
tors. eta vs tors. theta energy: -5.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -226.715108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.715108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.715108 (E_RNA)
where:
Base-Base interactions energy: -148.365
where: short stacking energy: -69.382
Base-Backbone interact. energy: -0.007
local terms energy: -78.343080
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -20.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -218.545958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.545958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.545958 (E_RNA)
where:
Base-Base interactions energy: -146.185
where: short stacking energy: -64.738
Base-Backbone interact. energy: 0.175
local terms energy: -72.536257
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -20.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -177.531366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.531366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.531366 (E_RNA)
where:
Base-Base interactions energy: -107.510
where: short stacking energy: -59.280
Base-Backbone interact. energy: -0.892
local terms energy: -69.130039
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -18.176
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: 4
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -172.985977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.985977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.985977 (E_RNA)
where:
Base-Base interactions energy: -108.236
where: short stacking energy: -51.293
Base-Backbone interact. energy: -1.447
local terms energy: -63.303408
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -10.646
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -13.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -176.087583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.087583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.087583 (E_RNA)
where:
Base-Base interactions energy: -103.491
where: short stacking energy: -55.785
Base-Backbone interact. energy: 0.454
local terms energy: -73.050400
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -9.994
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: 6, replica: 6
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -153.116221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.116221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.116221 (E_RNA)
where:
Base-Base interactions energy: -96.403
where: short stacking energy: -40.521
Base-Backbone interact. energy: -0.503
local terms energy: -56.209776
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -8.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -107.219599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.219599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.219599 (E_RNA)
where:
Base-Base interactions energy: -53.186
where: short stacking energy: -49.485
Base-Backbone interact. energy: -0.015
local terms energy: -54.018650
where:
bonds (distance) C4'-P energy: -6.257
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: -12.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -90.625615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.625615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.625615 (E_RNA)
where:
Base-Base interactions energy: -38.893
where: short stacking energy: -38.893
Base-Backbone interact. energy: -0.203
local terms energy: -51.530304
where:
bonds (distance) C4'-P energy: -9.590
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -9.476
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: 9, replica: 8
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -80.570601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.570601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.570601 (E_RNA)
where:
Base-Base interactions energy: -34.716
where: short stacking energy: -21.588
Base-Backbone interact. energy: -0.152
local terms energy: -45.703352
where:
bonds (distance) C4'-P energy: -8.845
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -0.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -81.868623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.868623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.868623 (E_RNA)
where:
Base-Base interactions energy: -36.041
where: short stacking energy: -25.846
Base-Backbone interact. energy: -0.092
local terms energy: -45.735586
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -11.838
flat angles P-C4'-P energy: -8.780
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: 1, replica: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -228.482738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.482738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.482738 (E_RNA)
where:
Base-Base interactions energy: -155.788
where: short stacking energy: -68.608
Base-Backbone interact. energy: -0.756
local terms energy: -71.938501
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -19.204
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: 303
Temperature: 0.950000
Total energy: -187.098014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.098014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.098014 (E_RNA)
where:
Base-Base interactions energy: -114.975
where: short stacking energy: -59.811
Base-Backbone interact. energy: -0.429
local terms energy: -71.693744
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -17.434
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -17.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -223.070256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.070256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.070256 (E_RNA)
where:
Base-Base interactions energy: -146.023
where: short stacking energy: -74.698
Base-Backbone interact. energy: -0.015
local terms energy: -77.032850
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -8.314
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: 4, replica: 4
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -182.738800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.738800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.738800 (E_RNA)
where:
Base-Base interactions energy: -113.261
where: short stacking energy: -46.143
Base-Backbone interact. energy: -0.158
local terms energy: -69.319345
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -11.209
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -15.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -155.485609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.485609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.485609 (E_RNA)
where:
Base-Base interactions energy: -93.464
where: short stacking energy: -50.295
Base-Backbone interact. energy: -1.133
local terms energy: -60.889599
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -4.117
tors. eta vs tors. theta energy: -13.803
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: 2
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -97.816093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.816093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.816093 (E_RNA)
where:
Base-Base interactions energy: -33.763
where: short stacking energy: -33.763
Base-Backbone interact. energy: -0.127
local terms energy: -63.926712
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -9.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -104.062286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.062286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.062286 (E_RNA)
where:
Base-Base interactions energy: -61.037
where: short stacking energy: -21.791
Base-Backbone interact. energy: -0.279
local terms energy: -42.745859
where:
bonds (distance) C4'-P energy: -9.002
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -8.103
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: 8
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -84.937282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.937282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.937282 (E_RNA)
where:
Base-Base interactions energy: -38.823
where: short stacking energy: -27.226
Base-Backbone interact. energy: -0.212
local terms energy: -45.902546
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -4.264
tors. eta vs tors. theta energy: -0.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -75.642650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.642650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.642650 (E_RNA)
where:
Base-Base interactions energy: -39.342
where: short stacking energy: -27.084
Base-Backbone interact. energy: 0.257
local terms energy: -36.557675
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -13.770
flat angles C4'-P-C4' energy: -7.779
flat angles P-C4'-P energy: -6.948
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: 10, replica: 9
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -80.883670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.883670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.883670 (E_RNA)
where:
Base-Base interactions energy: -26.342
where: short stacking energy: -26.442
Base-Backbone interact. energy: -0.093
local terms energy: -54.448636
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -11.117
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -5.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -227.091347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.091347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.091347 (E_RNA)
where:
Base-Base interactions energy: -150.488
where: short stacking energy: -68.438
Base-Backbone interact. energy: -0.354
local terms energy: -76.249355
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -18.393
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: -19.954
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: 2, replica: 5
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -185.674536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.674536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.674536 (E_RNA)
where:
Base-Base interactions energy: -119.705
where: short stacking energy: -60.780
Base-Backbone interact. energy: -0.051
local terms energy: -65.918944
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -16.496
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: 7
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -204.435016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.435016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.435016 (E_RNA)
where:
Base-Base interactions energy: -135.722
where: short stacking energy: -65.421
Base-Backbone interact. energy: -0.065
local terms energy: -68.647488
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -3.385
tors. eta vs tors. theta energy: -19.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -172.871119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.871119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.871119 (E_RNA)
where:
Base-Base interactions energy: -103.501
where: short stacking energy: -48.531
Base-Backbone interact. energy: -0.521
local terms energy: -68.849531
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -13.965
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: 5, replica: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -169.808386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.808386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.808386 (E_RNA)
where:
Base-Base interactions energy: -107.609
where: short stacking energy: -64.519
Base-Backbone interact. energy: -0.240
local terms energy: -61.959274
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -10.114
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -16.428
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: 2
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -99.873377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.873377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.873377 (E_RNA)
where:
Base-Base interactions energy: -39.290
where: short stacking energy: -36.498
Base-Backbone interact. energy: -0.025
local terms energy: -60.559151
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -4.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -88.631816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.631816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.631816 (E_RNA)
where:
Base-Base interactions energy: -36.834
where: short stacking energy: -36.435
Base-Backbone interact. energy: 0.354
local terms energy: -52.152191
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -3.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -95.518112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.518112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.518112 (E_RNA)
where:
Base-Base interactions energy: -41.911
where: short stacking energy: -35.548
Base-Backbone interact. energy: -0.162
local terms energy: -53.444742
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -11.185
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -5.915
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: 304
Temperature: 1.300000
Total energy: -76.987101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.987101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.987101 (E_RNA)
where:
Base-Base interactions energy: -25.533
where: short stacking energy: -11.476
Base-Backbone interact. energy: -0.247
local terms energy: -51.206463
where:
bonds (distance) C4'-P energy: -14.097
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: 2.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -79.968613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.968613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.968613 (E_RNA)
where:
Base-Base interactions energy: -38.142
where: short stacking energy: -37.592
Base-Backbone interact. energy: -0.225
local terms energy: -41.601003
where:
bonds (distance) C4'-P energy: -6.278
bonds (distance) P-C4' energy: -10.529
flat angles C4'-P-C4' energy: -11.100
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -4.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -221.726697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.726697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.726697 (E_RNA)
where:
Base-Base interactions energy: -144.634
where: short stacking energy: -65.823
Base-Backbone interact. energy: -1.402
local terms energy: -75.691079
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -14.926
flat angles C4'-P-C4' energy: -18.179
flat angles P-C4'-P energy: -10.241
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: 7
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -216.438108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.438108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.438108 (E_RNA)
where:
Base-Base interactions energy: -145.399
where: short stacking energy: -52.087
Base-Backbone interact. energy: -0.171
local terms energy: -70.868360
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -16.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -191.564636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.564636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.564636 (E_RNA)
where:
Base-Base interactions energy: -113.344
where: short stacking energy: -61.008
Base-Backbone interact. energy: -0.100
local terms energy: -78.120488
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -17.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -170.396167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.396167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.396167 (E_RNA)
where:
Base-Base interactions energy: -106.806
where: short stacking energy: -46.920
Base-Backbone interact. energy: -0.461
local terms energy: -63.129943
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -11.327
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: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -158.315236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.315236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.315236 (E_RNA)
where:
Base-Base interactions energy: -100.692
where: short stacking energy: -46.525
Base-Backbone interact. energy: -0.107
local terms energy: -57.515850
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -8.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -99.724139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.724139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.724139 (E_RNA)
where:
Base-Base interactions energy: -44.007
where: short stacking energy: -44.007
Base-Backbone interact. energy: 0.894
local terms energy: -56.611688
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -7.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -86.057216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.057216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.057216 (E_RNA)
where:
Base-Base interactions energy: -30.224
where: short stacking energy: -30.224
Base-Backbone interact. energy: -0.117
local terms energy: -55.716096
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -4.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -98.500458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.500458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.500458 (E_RNA)
where:
Base-Base interactions energy: -48.907
where: short stacking energy: -38.330
Base-Backbone interact. energy: -0.134
local terms energy: -49.459700
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -2.807
tors. eta vs tors. theta energy: -5.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -76.505263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.505263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.505263 (E_RNA)
where:
Base-Base interactions energy: -31.456
where: short stacking energy: -30.931
Base-Backbone interact. energy: -0.206
local terms energy: -44.843337
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -10.562
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -3.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -80.705993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.705993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.705993 (E_RNA)
where:
Base-Base interactions energy: -27.869
where: short stacking energy: -27.869
Base-Backbone interact. energy: -0.065
local terms energy: -52.771767
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -9.436
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -5.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -214.250728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.250728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.250728 (E_RNA)
where:
Base-Base interactions energy: -139.692
where: short stacking energy: -62.728
Base-Backbone interact. energy: -0.632
local terms energy: -73.926663
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -15.524
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: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -215.901667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.901667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.901667 (E_RNA)
where:
Base-Base interactions energy: -134.365
where: short stacking energy: -61.418
Base-Backbone interact. energy: -0.823
local terms energy: -80.713334
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -17.845
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -21.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -191.766136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.766136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.766136 (E_RNA)
where:
Base-Base interactions energy: -116.560
where: short stacking energy: -71.334
Base-Backbone interact. energy: -0.504
local terms energy: -74.701967
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -12.632
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: 4, replica: 5
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -182.762298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.762298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.762298 (E_RNA)
where:
Base-Base interactions energy: -109.246
where: short stacking energy: -65.721
Base-Backbone interact. energy: -0.957
local terms energy: -72.558927
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -15.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -152.872685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.872685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.872685 (E_RNA)
where:
Base-Base interactions energy: -96.443
where: short stacking energy: -46.552
Base-Backbone interact. energy: -0.056
local terms energy: -56.373511
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -10.961
flat angles P-C4'-P energy: -11.329
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: 8
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -96.201171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.201171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.201171 (E_RNA)
where:
Base-Base interactions energy: -42.878
where: short stacking energy: -42.581
Base-Backbone interact. energy: -0.133
local terms energy: -53.190738
where:
bonds (distance) C4'-P energy: -9.925
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -6.463
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: 6
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -97.285037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.285037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.285037 (E_RNA)
where:
Base-Base interactions energy: -34.803
where: short stacking energy: -32.131
Base-Backbone interact. energy: 0.004
local terms energy: -62.485261
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -5.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -88.057708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.057708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.057708 (E_RNA)
where:
Base-Base interactions energy: -33.515
where: short stacking energy: -33.127
Base-Backbone interact. energy: -0.061
local terms energy: -54.481978
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -6.927
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: 9, replica: 10
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -77.975034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.975034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.975034 (E_RNA)
where:
Base-Base interactions energy: -29.511
where: short stacking energy: -29.366
Base-Backbone interact. energy: -0.371
local terms energy: -48.092598
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: -1.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -76.128967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.128967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.128967 (E_RNA)
where:
Base-Base interactions energy: -41.582
where: short stacking energy: -26.572
Base-Backbone interact. energy: -1.350
local terms energy: -33.197588
where:
bonds (distance) C4'-P energy: -2.789
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -9.991
flat angles P-C4'-P energy: -4.371
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: 7
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -220.602094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.602094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.602094 (E_RNA)
where:
Base-Base interactions energy: -145.183
where: short stacking energy: -65.029
Base-Backbone interact. energy: 0.077
local terms energy: -75.496099
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -18.517
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -17.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -215.645197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.645197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.645197 (E_RNA)
where:
Base-Base interactions energy: -142.367
where: short stacking energy: -68.018
Base-Backbone interact. energy: -0.367
local terms energy: -72.910928
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -11.156
flat angles C4'-P-C4' energy: -18.037
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -22.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -198.541632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.541632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.541632 (E_RNA)
where:
Base-Base interactions energy: -124.247
where: short stacking energy: -66.122
Base-Backbone interact. energy: -0.067
local terms energy: -74.226695
where:
bonds (distance) C4'-P energy: -10.416
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -18.223
flat angles P-C4'-P energy: -10.652
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: 3
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -163.976339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.976339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.976339 (E_RNA)
where:
Base-Base interactions energy: -99.939
where: short stacking energy: -43.343
Base-Backbone interact. energy: -0.812
local terms energy: -63.225460
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -9.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -182.977176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.977176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.977176 (E_RNA)
where:
Base-Base interactions energy: -114.743
where: short stacking energy: -56.232
Base-Backbone interact. energy: -0.103
local terms energy: -68.131296
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -8.616
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: 6, replica: 8
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -100.781669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.781669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.781669 (E_RNA)
where:
Base-Base interactions energy: -43.693
where: short stacking energy: -41.966
Base-Backbone interact. energy: -0.095
local terms energy: -56.993499
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -9.818
flat angles P-C4'-P energy: -6.570
tors. eta vs tors. theta energy: -9.545
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: 6
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -105.253982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.253982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.253982 (E_RNA)
where:
Base-Base interactions energy: -43.303
where: short stacking energy: -43.303
Base-Backbone interact. energy: -0.199
local terms energy: -61.751683
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -4.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -101.446104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.446104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.446104 (E_RNA)
where:
Base-Base interactions energy: -49.306
where: short stacking energy: -25.523
Base-Backbone interact. energy: -0.291
local terms energy: -51.848368
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: 0.964
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: 9, replica: 2
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -81.161701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.161701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.161701 (E_RNA)
where:
Base-Base interactions energy: -28.621
where: short stacking energy: -27.952
Base-Backbone interact. energy: -0.135
local terms energy: -52.405262
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -3.654
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: 9
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -90.097721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.097721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.097721 (E_RNA)
where:
Base-Base interactions energy: -39.405
where: short stacking energy: -38.671
Base-Backbone interact. energy: -0.038
local terms energy: -50.654402
where:
bonds (distance) C4'-P energy: -9.796
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -7.592
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: 1, replica: 1
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -226.254315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.254315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.254315 (E_RNA)
where:
Base-Base interactions energy: -148.385
where: short stacking energy: -64.964
Base-Backbone interact. energy: -0.160
local terms energy: -77.709921
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -15.236
tors. eta vs tors. theta energy: -18.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -214.525349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.525349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.525349 (E_RNA)
where:
Base-Base interactions energy: -145.335
where: short stacking energy: -61.258
Base-Backbone interact. energy: -0.540
local terms energy: -68.650831
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -7.293
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: 4
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -193.121350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.121350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.121350 (E_RNA)
where:
Base-Base interactions energy: -111.617
where: short stacking energy: -59.012
Base-Backbone interact. energy: -0.070
local terms energy: -81.434916
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -17.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -176.195816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.195816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.195816 (E_RNA)
where:
Base-Base interactions energy: -110.733
where: short stacking energy: -56.756
Base-Backbone interact. energy: -0.514
local terms energy: -64.948476
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -16.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -177.872478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.872478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.872478 (E_RNA)
where:
Base-Base interactions energy: -111.407
where: short stacking energy: -59.635
Base-Backbone interact. energy: -0.191
local terms energy: -66.274054
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -12.280
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: 308
Temperature: 1.150000
Total energy: -106.904004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.904004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.904004 (E_RNA)
where:
Base-Base interactions energy: -52.074
where: short stacking energy: -42.600
Base-Backbone interact. energy: -0.095
local terms energy: -54.735361
where:
bonds (distance) C4'-P energy: -6.360
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -5.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -102.755446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.755446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.755446 (E_RNA)
where:
Base-Base interactions energy: -46.674
where: short stacking energy: -27.109
Base-Backbone interact. energy: -0.122
local terms energy: -55.959471
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -4.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -95.096594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.096594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.096594 (E_RNA)
where:
Base-Base interactions energy: -43.255
where: short stacking energy: -24.657
Base-Backbone interact. energy: 1.516
local terms energy: -53.357058
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -5.846
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: 9, replica: 9
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -96.243362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.243362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.243362 (E_RNA)
where:
Base-Base interactions energy: -46.187
where: short stacking energy: -29.338
Base-Backbone interact. energy: 0.184
local terms energy: -50.239773
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -9.860
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -2.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -78.789562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.789562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.789562 (E_RNA)
where:
Base-Base interactions energy: -29.533
where: short stacking energy: -28.282
Base-Backbone interact. energy: -0.252
local terms energy: -49.004426
where:
bonds (distance) C4'-P energy: -7.318
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -7.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -225.102703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.102703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.102703 (E_RNA)
where:
Base-Base interactions energy: -152.212
where: short stacking energy: -65.403
Base-Backbone interact. energy: -0.020
local terms energy: -72.870470
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -9.345
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: 7
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -205.499583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.499583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.499583 (E_RNA)
where:
Base-Base interactions energy: -134.300
where: short stacking energy: -59.164
Base-Backbone interact. energy: -1.021
local terms energy: -70.179257
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -11.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -186.212219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.212219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.212219 (E_RNA)
where:
Base-Base interactions energy: -114.205
where: short stacking energy: -58.797
Base-Backbone interact. energy: -0.149
local terms energy: -71.858170
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -17.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -175.664297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.664297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.664297 (E_RNA)
where:
Base-Base interactions energy: -109.398
where: short stacking energy: -47.266
Base-Backbone interact. energy: -0.011
local terms energy: -66.255090
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -6.155
tors. eta vs tors. theta energy: -11.712
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: 3
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -171.021828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.021828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.021828 (E_RNA)
where:
Base-Base interactions energy: -107.865
where: short stacking energy: -57.700
Base-Backbone interact. energy: 2.538
local terms energy: -65.694900
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -15.212
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: 6, replica: 10
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -95.678976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.678976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.678976 (E_RNA)
where:
Base-Base interactions energy: -38.022
where: short stacking energy: -34.911
Base-Backbone interact. energy: -0.000
local terms energy: -57.656071
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -4.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -93.046478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.046478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.046478 (E_RNA)
where:
Base-Base interactions energy: -31.087
where: short stacking energy: -31.087
Base-Backbone interact. energy: -0.005
local terms energy: -61.954529
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -11.272
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -10.402
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: 6
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -93.415812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.415812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.415812 (E_RNA)
where:
Base-Base interactions energy: -39.821
where: short stacking energy: -36.296
Base-Backbone interact. energy: -0.220
local terms energy: -53.374666
where:
bonds (distance) C4'-P energy: -9.966
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -7.089
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -11.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -92.915362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.915362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.915362 (E_RNA)
where:
Base-Base interactions energy: -41.572
where: short stacking energy: -26.937
Base-Backbone interact. energy: -0.274
local terms energy: -51.069881
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -5.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -78.071063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.071063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.071063 (E_RNA)
where:
Base-Base interactions energy: -22.798
where: short stacking energy: -21.639
Base-Backbone interact. energy: -0.259
local terms energy: -55.014194
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -6.461
tors. eta vs tors. theta energy: -3.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -217.111068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.111068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.111068 (E_RNA)
where:
Base-Base interactions energy: -145.366
where: short stacking energy: -50.206
Base-Backbone interact. energy: -0.779
local terms energy: -70.966195
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -17.542
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -10.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -212.632849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.632849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.632849 (E_RNA)
where:
Base-Base interactions energy: -137.898
where: short stacking energy: -65.642
Base-Backbone interact. energy: -0.010
local terms energy: -74.725511
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -8.149
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: 3, replica: 5
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -201.311239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.311239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.311239 (E_RNA)
where:
Base-Base interactions energy: -135.218
where: short stacking energy: -73.350
Base-Backbone interact. energy: -0.002
local terms energy: -66.091447
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -18.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -176.099675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.099675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.099675 (E_RNA)
where:
Base-Base interactions energy: -117.525
where: short stacking energy: -66.316
Base-Backbone interact. energy: -0.652
local terms energy: -57.922540
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -12.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -175.023626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.023626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.023626 (E_RNA)
where:
Base-Base interactions energy: -109.708
where: short stacking energy: -57.202
Base-Backbone interact. energy: -0.407
local terms energy: -64.908601
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -12.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -118.387489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.387489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.387489 (E_RNA)
where:
Base-Base interactions energy: -70.961
where: short stacking energy: -29.208
Base-Backbone interact. energy: -1.164
local terms energy: -46.262561
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -3.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -104.511765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.511765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.511765 (E_RNA)
where:
Base-Base interactions energy: -50.077
where: short stacking energy: -41.356
Base-Backbone interact. energy: -0.051
local terms energy: -54.383782
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -8.988
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -9.404
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: 6
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -80.508881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.508881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.508881 (E_RNA)
where:
Base-Base interactions energy: -38.821
where: short stacking energy: -25.562
Base-Backbone interact. energy: 1.315
local terms energy: -43.003615
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -3.151
tors. eta vs tors. theta energy: -2.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -92.382748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.382748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.382748 (E_RNA)
where:
Base-Base interactions energy: -39.353
where: short stacking energy: -37.831
Base-Backbone interact. energy: -0.208
local terms energy: -52.821593
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -5.670
tors. eta vs tors. theta energy: -7.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -75.875249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.875249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.875249 (E_RNA)
where:
Base-Base interactions energy: -26.131
where: short stacking energy: -10.894
Base-Backbone interact. energy: -0.082
local terms energy: -49.661859
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -3.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -214.020501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.020501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.020501 (E_RNA)
where:
Base-Base interactions energy: -143.929
where: short stacking energy: -55.906
Base-Backbone interact. energy: -0.123
local terms energy: -69.968132
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -16.919
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: 311
Temperature: 0.950000
Total energy: -187.584604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.584604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.584604 (E_RNA)
where:
Base-Base interactions energy: -114.183
where: short stacking energy: -61.929
Base-Backbone interact. energy: -0.000
local terms energy: -73.401519
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -17.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -224.535179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.535179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.535179 (E_RNA)
where:
Base-Base interactions energy: -147.814
where: short stacking energy: -72.124
Base-Backbone interact. energy: -0.243
local terms energy: -76.478002
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -10.731
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -22.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -181.117871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.117871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.117871 (E_RNA)
where:
Base-Base interactions energy: -112.352
where: short stacking energy: -60.459
Base-Backbone interact. energy: -0.567
local terms energy: -68.198736
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -10.886
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -19.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -177.887637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.887637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.887637 (E_RNA)
where:
Base-Base interactions energy: -109.059
where: short stacking energy: -56.980
Base-Backbone interact. energy: -0.601
local terms energy: -68.228095
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -12.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -105.947773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.947773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.947773 (E_RNA)
where:
Base-Base interactions energy: -47.840
where: short stacking energy: -22.154
Base-Backbone interact. energy: -0.222
local terms energy: -57.885997
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -10.476
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: 7, replica: 8
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -82.196881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.196881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.196881 (E_RNA)
where:
Base-Base interactions energy: -31.954
where: short stacking energy: -24.292
Base-Backbone interact. energy: -0.086
local terms energy: -50.157171
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -5.421
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: 8, replica: 9
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -100.224404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.224404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.224404 (E_RNA)
where:
Base-Base interactions energy: -49.575
where: short stacking energy: -18.684
Base-Backbone interact. energy: -0.442
local terms energy: -50.207295
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: 1.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -79.345204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.345204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.345204 (E_RNA)
where:
Base-Base interactions energy: -24.102
where: short stacking energy: -23.523
Base-Backbone interact. energy: -0.102
local terms energy: -55.141564
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -5.989
tors. eta vs tors. theta energy: -5.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -97.997400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.997400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.997400 (E_RNA)
where:
Base-Base interactions energy: -51.869
where: short stacking energy: -36.196
Base-Backbone interact. energy: -0.144
local terms energy: -45.983690
where:
bonds (distance) C4'-P energy: -8.663
bonds (distance) P-C4' energy: -8.717
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -209.553853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.553853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.553853 (E_RNA)
where:
Base-Base interactions energy: -148.958
where: short stacking energy: -53.269
Base-Backbone interact. energy: 0.277
local terms energy: -60.872737
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -6.141
tors. eta vs tors. theta energy: -11.748
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: 312
Temperature: 0.950000
Total energy: -197.517106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.517106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.517106 (E_RNA)
where:
Base-Base interactions energy: -125.714
where: short stacking energy: -58.822
Base-Backbone interact. energy: -0.328
local terms energy: -71.475165
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -7.978
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: 3, replica: 1
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -223.570783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.570783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.570783 (E_RNA)
where:
Base-Base interactions energy: -148.904
where: short stacking energy: -73.710
Base-Backbone interact. energy: 0.076
local terms energy: -74.742598
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -11.485
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: 4, replica: 3
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -176.842416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.842416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.842416 (E_RNA)
where:
Base-Base interactions energy: -107.817
where: short stacking energy: -53.436
Base-Backbone interact. energy: -0.316
local terms energy: -68.709144
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -14.288
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: 5, replica: 4
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -171.680401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.680401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.680401 (E_RNA)
where:
Base-Base interactions energy: -114.348
where: short stacking energy: -49.545
Base-Backbone interact. energy: -0.579
local terms energy: -56.753517
where:
bonds (distance) C4'-P energy: -9.146
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -3.500
tors. eta vs tors. theta energy: -13.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -139.567861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.567861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.567861 (E_RNA)
where:
Base-Base interactions energy: -85.063
where: short stacking energy: -46.016
Base-Backbone interact. energy: -0.187
local terms energy: -54.318464
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -7.887
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: 7, replica: 9
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -85.891105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.891105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.891105 (E_RNA)
where:
Base-Base interactions energy: -38.549
where: short stacking energy: -20.676
Base-Backbone interact. energy: -0.122
local terms energy: -47.220528
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: 0.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -84.453806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.453806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.453806 (E_RNA)
where:
Base-Base interactions energy: -34.335
where: short stacking energy: -28.017
Base-Backbone interact. energy: -0.161
local terms energy: -49.957944
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -7.663
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: 9, replica: 2
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -84.840839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.840839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.840839 (E_RNA)
where:
Base-Base interactions energy: -30.757
where: short stacking energy: -29.456
Base-Backbone interact. energy: 0.510
local terms energy: -54.593761
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -6.763
tors. eta vs tors. theta energy: -4.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -78.644531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.644531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.644531 (E_RNA)
where:
Base-Base interactions energy: -26.981
where: short stacking energy: -28.085
Base-Backbone interact. energy: -0.162
local terms energy: -51.501282
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -6.476
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: 7
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -214.551504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.551504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.551504 (E_RNA)
where:
Base-Base interactions energy: -140.156
where: short stacking energy: -66.681
Base-Backbone interact. energy: -0.905
local terms energy: -73.489745
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -22.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -200.139739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.139739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.139739 (E_RNA)
where:
Base-Base interactions energy: -131.208
where: short stacking energy: -70.637
Base-Backbone interact. energy: -0.302
local terms energy: -68.630062
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -4.246
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: 1
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -205.635985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.635985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.635985 (E_RNA)
where:
Base-Base interactions energy: -137.780
where: short stacking energy: -54.941
Base-Backbone interact. energy: -0.087
local terms energy: -67.769280
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -14.884
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: 313
Temperature: 1.050000
Total energy: -150.011558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.011558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.011558 (E_RNA)
where:
Base-Base interactions energy: -92.443
where: short stacking energy: -38.136
Base-Backbone interact. energy: -0.699
local terms energy: -56.869267
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -10.425
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: 5, replica: 3
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -163.006570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.006570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.006570 (E_RNA)
where:
Base-Base interactions energy: -103.152
where: short stacking energy: -40.601
Base-Backbone interact. energy: -0.380
local terms energy: -59.474147
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -8.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -145.543287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.543287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.543287 (E_RNA)
where:
Base-Base interactions energy: -83.571
where: short stacking energy: -42.648
Base-Backbone interact. energy: -0.025
local terms energy: -61.947171
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -9.693
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: 313
Temperature: 1.200000
Total energy: -84.172172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.172172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.172172 (E_RNA)
where:
Base-Base interactions energy: -36.070
where: short stacking energy: -31.389
Base-Backbone interact. energy: -0.286
local terms energy: -47.816222
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -9.298
flat angles P-C4'-P energy: -6.066
tors. eta vs tors. theta energy: -3.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -87.143416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.143416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.143416 (E_RNA)
where:
Base-Base interactions energy: -40.099
where: short stacking energy: -29.064
Base-Backbone interact. energy: -0.145
local terms energy: -46.899572
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -8.503
flat angles P-C4'-P energy: -2.679
tors. eta vs tors. theta energy: -5.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -88.245160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.245160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.245160 (E_RNA)
where:
Base-Base interactions energy: -30.208
where: short stacking energy: -26.487
Base-Backbone interact. energy: -0.254
local terms energy: -57.783236
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -5.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -76.699413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.699413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.699413 (E_RNA)
where:
Base-Base interactions energy: -25.342
where: short stacking energy: -19.998
Base-Backbone interact. energy: -0.078
local terms energy: -51.279493
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -12.009
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: 1, replica: 7
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -224.092789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.092789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.092789 (E_RNA)
where:
Base-Base interactions energy: -147.311
where: short stacking energy: -78.003
Base-Backbone interact. energy: -0.009
local terms energy: -76.773452
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -22.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -192.907213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.907213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.907213 (E_RNA)
where:
Base-Base interactions energy: -115.336
where: short stacking energy: -58.626
Base-Backbone interact. energy: -0.006
local terms energy: -77.565164
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -17.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -211.804130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.804130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.804130 (E_RNA)
where:
Base-Base interactions energy: -138.589
where: short stacking energy: -66.783
Base-Backbone interact. energy: -0.510
local terms energy: -72.704744
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -10.389
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: 4, replica: 4
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -150.829864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.829864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.829864 (E_RNA)
where:
Base-Base interactions energy: -85.829
where: short stacking energy: -43.236
Base-Backbone interact. energy: -0.231
local terms energy: -64.769895
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -19.399
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -11.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -172.638868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.638868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.638868 (E_RNA)
where:
Base-Base interactions energy: -109.407
where: short stacking energy: -55.308
Base-Backbone interact. energy: -0.004
local terms energy: -63.228661
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -6.171
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: 10
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -139.790142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.790142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.790142 (E_RNA)
where:
Base-Base interactions energy: -77.295
where: short stacking energy: -40.572
Base-Backbone interact. energy: -0.134
local terms energy: -62.361688
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -12.804
flat angles C4'-P-C4' energy: -18.170
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -6.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -94.641888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.641888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.641888 (E_RNA)
where:
Base-Base interactions energy: -47.811
where: short stacking energy: -47.811
Base-Backbone interact. energy: 0.630
local terms energy: -47.461265
where:
bonds (distance) C4'-P energy: -11.190
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -6.146
flat angles P-C4'-P energy: -4.202
tors. eta vs tors. theta energy: -10.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -87.095658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.095658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.095658 (E_RNA)
where:
Base-Base interactions energy: -31.696
where: short stacking energy: -31.696
Base-Backbone interact. energy: -0.037
local terms energy: -55.363018
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -6.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -81.216371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.216371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.216371 (E_RNA)
where:
Base-Base interactions energy: -32.694
where: short stacking energy: -27.242
Base-Backbone interact. energy: -0.136
local terms energy: -48.386293
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -3.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -75.468747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.468747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.468747 (E_RNA)
where:
Base-Base interactions energy: -17.619
where: short stacking energy: -17.619
Base-Backbone interact. energy: -0.131
local terms energy: -57.718728
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -7.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -223.838261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.838261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.838261 (E_RNA)
where:
Base-Base interactions energy: -139.475
where: short stacking energy: -69.859
Base-Backbone interact. energy: -0.617
local terms energy: -83.746167
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -22.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -221.644186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.644186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.644186 (E_RNA)
where:
Base-Base interactions energy: -154.325
where: short stacking energy: -54.618
Base-Backbone interact. energy: -0.252
local terms energy: -67.067455
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -14.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -188.303976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.303976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.303976 (E_RNA)
where:
Base-Base interactions energy: -114.593
where: short stacking energy: -56.622
Base-Backbone interact. energy: -0.593
local terms energy: -73.117977
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: -17.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -158.724323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.724323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.724323 (E_RNA)
where:
Base-Base interactions energy: -102.793
where: short stacking energy: -50.929
Base-Backbone interact. energy: -0.058
local terms energy: -55.872778
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -9.637
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -9.009
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: 4
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -170.782658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.782658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.782658 (E_RNA)
where:
Base-Base interactions energy: -100.983
where: short stacking energy: -48.806
Base-Backbone interact. energy: -0.628
local terms energy: -69.171806
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -15.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -152.348729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.348729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.348729 (E_RNA)
where:
Base-Base interactions energy: -95.250
where: short stacking energy: -48.029
Base-Backbone interact. energy: 0.029
local terms energy: -57.128072
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -10.696
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -11.648
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: 2
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -96.462442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.462442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.462442 (E_RNA)
where:
Base-Base interactions energy: -36.412
where: short stacking energy: -36.412
Base-Backbone interact. energy: -0.173
local terms energy: -59.877654
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -8.104
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: 6
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -90.408094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.408094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.408094 (E_RNA)
where:
Base-Base interactions energy: -37.767
where: short stacking energy: -35.750
Base-Backbone interact. energy: -0.269
local terms energy: -52.371873
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -6.059
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -6.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -83.651514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.651514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.651514 (E_RNA)
where:
Base-Base interactions energy: -37.196
where: short stacking energy: -35.995
Base-Backbone interact. energy: -0.176
local terms energy: -46.279060
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -11.064
flat angles C4'-P-C4' energy: -9.509
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -4.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -76.973099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.973099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.973099 (E_RNA)
where:
Base-Base interactions energy: -30.396
where: short stacking energy: -30.396
Base-Backbone interact. energy: -0.152
local terms energy: -46.425521
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -3.448
tors. eta vs tors. theta energy: -2.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -215.391165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.391165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.391165 (E_RNA)
where:
Base-Base interactions energy: -149.704
where: short stacking energy: -61.185
Base-Backbone interact. energy: -0.019
local terms energy: -65.668334
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -14.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -223.336466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.336466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.336466 (E_RNA)
where:
Base-Base interactions energy: -143.882
where: short stacking energy: -67.860
Base-Backbone interact. energy: -0.778
local terms energy: -78.676046
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -20.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -184.394282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.394282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.394282 (E_RNA)
where:
Base-Base interactions energy: -118.845
where: short stacking energy: -68.415
Base-Backbone interact. energy: -1.309
local terms energy: -64.240755
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -2.285
tors. eta vs tors. theta energy: -19.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -191.585376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.585376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.585376 (E_RNA)
where:
Base-Base interactions energy: -124.665
where: short stacking energy: -56.315
Base-Backbone interact. energy: -0.053
local terms energy: -66.867564
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -17.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -167.750699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.750699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.750699 (E_RNA)
where:
Base-Base interactions energy: -96.221
where: short stacking energy: -43.287
Base-Backbone interact. energy: -0.103
local terms energy: -71.426916
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -10.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -181.207438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.207438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.207438 (E_RNA)
where:
Base-Base interactions energy: -110.439
where: short stacking energy: -53.885
Base-Backbone interact. energy: -0.417
local terms energy: -70.351333
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -15.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -101.344593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.344593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.344593 (E_RNA)
where:
Base-Base interactions energy: -50.836
where: short stacking energy: -37.705
Base-Backbone interact. energy: -0.135
local terms energy: -50.373471
where:
bonds (distance) C4'-P energy: -13.090
bonds (distance) P-C4' energy: -12.766
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -4.790
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: 8, replica: 2
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -86.746828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.746828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.746828 (E_RNA)
where:
Base-Base interactions energy: -35.733
where: short stacking energy: -29.860
Base-Backbone interact. energy: -0.140
local terms energy: -50.872961
where:
bonds (distance) C4'-P energy: -10.054
bonds (distance) P-C4' energy: -8.585
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -5.500
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: 8
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -114.288382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.288382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.288382 (E_RNA)
where:
Base-Base interactions energy: -69.396
where: short stacking energy: -22.109
Base-Backbone interact. energy: -0.185
local terms energy: -44.707782
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -7.967
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: 1.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -73.510981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.510981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.510981 (E_RNA)
where:
Base-Base interactions energy: -41.166
where: short stacking energy: -26.423
Base-Backbone interact. energy: 0.073
local terms energy: -32.417803
where:
bonds (distance) C4'-P energy: -10.117
bonds (distance) P-C4' energy: -8.506
flat angles C4'-P-C4' energy: -5.951
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: 1.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -226.222733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.222733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.222733 (E_RNA)
where:
Base-Base interactions energy: -146.423
where: short stacking energy: -72.558
Base-Backbone interact. energy: -0.067
local terms energy: -79.732276
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -20.791
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: 7
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -219.281380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.281380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.281380 (E_RNA)
where:
Base-Base interactions energy: -143.723
where: short stacking energy: -68.374
Base-Backbone interact. energy: -0.325
local terms energy: -75.233023
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -19.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -197.154034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.154034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.154034 (E_RNA)
where:
Base-Base interactions energy: -120.517
where: short stacking energy: -67.677
Base-Backbone interact. energy: -0.327
local terms energy: -76.309864
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -11.459
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: 4, replica: 3
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -193.376790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.376790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.376790 (E_RNA)
where:
Base-Base interactions energy: -117.957
where: short stacking energy: -69.658
Base-Backbone interact. energy: -0.298
local terms energy: -75.122018
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -17.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -162.208433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.208433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.208433 (E_RNA)
where:
Base-Base interactions energy: -99.956
where: short stacking energy: -52.081
Base-Backbone interact. energy: 1.488
local terms energy: -63.739971
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -9.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -171.955290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.955290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.955290 (E_RNA)
where:
Base-Base interactions energy: -105.229
where: short stacking energy: -43.172
Base-Backbone interact. energy: 0.313
local terms energy: -67.039253
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -12.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -104.613154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.613154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.613154 (E_RNA)
where:
Base-Base interactions energy: -63.614
where: short stacking energy: -31.956
Base-Backbone interact. energy: -0.214
local terms energy: -40.785013
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -7.495
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -3.229
tors. eta vs tors. theta energy: -2.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -129.964305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.964305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.964305 (E_RNA)
where:
Base-Base interactions energy: -82.723
where: short stacking energy: -30.980
Base-Backbone interact. energy: 3.418
local terms energy: -50.658914
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -10.201
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: 9, replica: 2
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -77.054896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.054896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.054896 (E_RNA)
where:
Base-Base interactions energy: -24.685
where: short stacking energy: -24.685
Base-Backbone interact. energy: -0.054
local terms energy: -52.315768
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -11.878
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -3.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -81.493365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.493365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.493365 (E_RNA)
where:
Base-Base interactions energy: -34.568
where: short stacking energy: -30.847
Base-Backbone interact. energy: -0.063
local terms energy: -46.862357
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -9.026
flat angles P-C4'-P energy: -5.918
tors. eta vs tors. theta energy: -0.711
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: 1, replica: 1
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -223.696572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.696572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.696572 (E_RNA)
where:
Base-Base interactions energy: -146.675
where: short stacking energy: -71.362
Base-Backbone interact. energy: -0.025
local terms energy: -76.996785
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -20.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -222.568650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.568650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.568650 (E_RNA)
where:
Base-Base interactions energy: -141.481
where: short stacking energy: -72.600
Base-Backbone interact. energy: -0.140
local terms energy: -80.947764
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -10.535
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: 3
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -189.715587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.715587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.715587 (E_RNA)
where:
Base-Base interactions energy: -119.008
where: short stacking energy: -68.648
Base-Backbone interact. energy: 0.697
local terms energy: -71.404236
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -16.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -181.263730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.263730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.263730 (E_RNA)
where:
Base-Base interactions energy: -109.652
where: short stacking energy: -59.958
Base-Backbone interact. energy: -0.092
local terms energy: -71.520341
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -17.285
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: 318
Temperature: 1.100000
Total energy: -166.377870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.377870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.377870 (E_RNA)
where:
Base-Base interactions energy: -105.017
where: short stacking energy: -53.661
Base-Backbone interact. energy: -0.090
local terms energy: -61.270877
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -10.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -137.650718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.650718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.650718 (E_RNA)
where:
Base-Base interactions energy: -83.763
where: short stacking energy: -46.289
Base-Backbone interact. energy: -0.045
local terms energy: -53.842227
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -11.270
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -6.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -152.611734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.611734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.611734 (E_RNA)
where:
Base-Base interactions energy: -91.705
where: short stacking energy: -42.558
Base-Backbone interact. energy: -0.465
local terms energy: -60.440986
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -10.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -114.008322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.008322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.008322 (E_RNA)
where:
Base-Base interactions energy: -57.662
where: short stacking energy: -36.537
Base-Backbone interact. energy: -0.098
local terms energy: -56.248216
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -10.632
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -6.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -85.804774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.804774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.804774 (E_RNA)
where:
Base-Base interactions energy: -35.349
where: short stacking energy: -30.252
Base-Backbone interact. energy: -0.161
local terms energy: -50.295671
where:
bonds (distance) C4'-P energy: -8.430
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -2.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -79.523785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.523785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.523785 (E_RNA)
where:
Base-Base interactions energy: -25.657
where: short stacking energy: -25.644
Base-Backbone interact. energy: -0.265
local terms energy: -53.601572
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -12.079
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -4.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -222.587864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.587864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.587864 (E_RNA)
where:
Base-Base interactions energy: -147.819
where: short stacking energy: -64.550
Base-Backbone interact. energy: -0.442
local terms energy: -74.326396
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -15.746
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -19.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -202.295041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.295041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.295041 (E_RNA)
where:
Base-Base interactions energy: -122.978
where: short stacking energy: -63.703
Base-Backbone interact. energy: -1.335
local terms energy: -77.981589
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -19.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -218.686317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.686317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.686317 (E_RNA)
where:
Base-Base interactions energy: -142.876
where: short stacking energy: -67.657
Base-Backbone interact. energy: -2.106
local terms energy: -73.704697
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -20.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -183.297695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.297695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.297695 (E_RNA)
where:
Base-Base interactions energy: -115.051
where: short stacking energy: -58.210
Base-Backbone interact. energy: -0.263
local terms energy: -67.983817
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -15.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -167.357061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.357061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.357061 (E_RNA)
where:
Base-Base interactions energy: -102.872
where: short stacking energy: -58.854
Base-Backbone interact. energy: -1.036
local terms energy: -63.448704
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -9.879
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: 8
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -156.926355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.926355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.926355 (E_RNA)
where:
Base-Base interactions energy: -99.509
where: short stacking energy: -41.212
Base-Backbone interact. energy: -0.423
local terms energy: -56.994589
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -12.013
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -5.194
tors. eta vs tors. theta energy: -10.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -142.051622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.051622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.051622 (E_RNA)
where:
Base-Base interactions energy: -81.979
where: short stacking energy: -43.542
Base-Backbone interact. energy: -0.179
local terms energy: -59.894141
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -11.035
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -8.486
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: 9
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -90.201592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.201592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.201592 (E_RNA)
where:
Base-Base interactions energy: -36.438
where: short stacking energy: -36.438
Base-Backbone interact. energy: -0.020
local terms energy: -53.744469
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -4.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -90.147171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.147171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.147171 (E_RNA)
where:
Base-Base interactions energy: -44.817
where: short stacking energy: -26.293
Base-Backbone interact. energy: 5.279
local terms energy: -50.609285
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -2.175
tors. eta vs tors. theta energy: -3.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -77.093855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.093855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.093855 (E_RNA)
where:
Base-Base interactions energy: -25.771
where: short stacking energy: -22.040
Base-Backbone interact. energy: 1.349
local terms energy: -52.671738
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -7.155
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -5.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -200.486663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.486663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.486663 (E_RNA)
where:
Base-Base interactions energy: -127.443
where: short stacking energy: -69.468
Base-Backbone interact. energy: -0.505
local terms energy: -72.538710
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -16.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -218.929326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.929326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.929326 (E_RNA)
where:
Base-Base interactions energy: -142.423
where: short stacking energy: -68.042
Base-Backbone interact. energy: -0.045
local terms energy: -76.461538
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -21.619
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: 3, replica: 5
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -185.860996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.860996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.860996 (E_RNA)
where:
Base-Base interactions energy: -111.106
where: short stacking energy: -56.133
Base-Backbone interact. energy: -0.133
local terms energy: -74.622090
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -6.532
tors. eta vs tors. theta energy: -19.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -207.186598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.186598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.186598 (E_RNA)
where:
Base-Base interactions energy: -136.970
where: short stacking energy: -63.074
Base-Backbone interact. energy: -0.005
local terms energy: -70.211691
where:
bonds (distance) C4'-P energy: -10.291
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -22.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -177.775597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.775597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.775597 (E_RNA)
where:
Base-Base interactions energy: -109.038
where: short stacking energy: -50.106
Base-Backbone interact. energy: -0.113
local terms energy: -68.624708
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -13.136
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: 320
Temperature: 1.150000
Total energy: -146.189538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.189538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.189538 (E_RNA)
where:
Base-Base interactions energy: -87.729
where: short stacking energy: -48.222
Base-Backbone interact. energy: -1.064
local terms energy: -57.396201
where:
bonds (distance) C4'-P energy: -8.208
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -8.836
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: 10
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -152.712615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.712615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.712615 (E_RNA)
where:
Base-Base interactions energy: -95.327
where: short stacking energy: -48.026
Base-Backbone interact. energy: -0.781
local terms energy: -56.604903
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -9.372
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: 320
Temperature: 1.250000
Total energy: -91.631904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.631904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.631904 (E_RNA)
where:
Base-Base interactions energy: -34.758
where: short stacking energy: -34.758
Base-Backbone interact. energy: 0.318
local terms energy: -57.192059
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -5.674
tors. eta vs tors. theta energy: -6.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -76.362447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.362447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.362447 (E_RNA)
where:
Base-Base interactions energy: -30.836
where: short stacking energy: -30.836
Base-Backbone interact. energy: -0.215
local terms energy: -45.311603
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -7.868
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -8.818
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: 6
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -80.963373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.963373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.963373 (E_RNA)
where:
Base-Base interactions energy: -30.465
where: short stacking energy: -30.051
Base-Backbone interact. energy: 0.842
local terms energy: -51.340169
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -10.228
flat angles P-C4'-P energy: -6.531
tors. eta vs tors. theta energy: -6.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -204.421880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.421880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.421880 (E_RNA)
where:
Base-Base interactions energy: -128.190
where: short stacking energy: -54.814
Base-Backbone interact. energy: -0.060
local terms energy: -76.171536
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -13.561
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: 1
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -222.206801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.206801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.206801 (E_RNA)
where:
Base-Base interactions energy: -145.453
where: short stacking energy: -73.015
Base-Backbone interact. energy: 2.085
local terms energy: -78.839067
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -23.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -185.499696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.499696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.499696 (E_RNA)
where:
Base-Base interactions energy: -123.405
where: short stacking energy: -68.938
Base-Backbone interact. energy: -0.006
local terms energy: -62.088078
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -5.355
tors. eta vs tors. theta energy: -17.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -197.895496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.895496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.895496 (E_RNA)
where:
Base-Base interactions energy: -133.596
where: short stacking energy: -51.306
Base-Backbone interact. energy: -0.080
local terms energy: -64.219316
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -11.873
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -14.277
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: 4
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -167.662597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.662597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.662597 (E_RNA)
where:
Base-Base interactions energy: -95.732
where: short stacking energy: -54.432
Base-Backbone interact. energy: -0.045
local terms energy: -71.886258
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -13.232
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -15.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -188.031832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.031832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.031832 (E_RNA)
where:
Base-Base interactions energy: -121.962
where: short stacking energy: -71.324
Base-Backbone interact. energy: -0.206
local terms energy: -65.863987
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -4.940
tors. eta vs tors. theta energy: -18.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -146.072034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.072034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.072034 (E_RNA)
where:
Base-Base interactions energy: -94.116
where: short stacking energy: -47.416
Base-Backbone interact. energy: -0.461
local terms energy: -51.494327
where:
bonds (distance) C4'-P energy: -9.118
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: -7.687
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: 2
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -92.428070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.428070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.428070 (E_RNA)
where:
Base-Base interactions energy: -41.473
where: short stacking energy: -25.401
Base-Backbone interact. energy: -0.048
local terms energy: -50.907221
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -9.384
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -5.246
tors. eta vs tors. theta energy: -11.085
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: 9
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -85.887981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.887981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.887981 (E_RNA)
where:
Base-Base interactions energy: -36.665
where: short stacking energy: -20.126
Base-Backbone interact. energy: -0.155
local terms energy: -49.067401
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -4.945
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: 10, replica: 6
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -76.840566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.840566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.840566 (E_RNA)
where:
Base-Base interactions energy: -28.169
where: short stacking energy: -28.169
Base-Backbone interact. energy: -0.072
local terms energy: -48.599852
where:
bonds (distance) C4'-P energy: -9.304
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -1.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -229.532000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.532000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.532000 (E_RNA)
where:
Base-Base interactions energy: -143.955
where: short stacking energy: -71.774
Base-Backbone interact. energy: -1.499
local terms energy: -84.077691
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -23.306
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: 3
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -204.094048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.094048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.094048 (E_RNA)
where:
Base-Base interactions energy: -136.039
where: short stacking energy: -61.560
Base-Backbone interact. energy: -0.111
local terms energy: -67.944293
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -17.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -202.820529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.820529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.820529 (E_RNA)
where:
Base-Base interactions energy: -128.667
where: short stacking energy: -64.987
Base-Backbone interact. energy: -0.081
local terms energy: -74.073267
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -13.799
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: 4, replica: 5
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -186.230256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.230256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.230256 (E_RNA)
where:
Base-Base interactions energy: -119.325
where: short stacking energy: -63.512
Base-Backbone interact. energy: 0.434
local terms energy: -67.339615
where:
bonds (distance) C4'-P energy: -8.763
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -15.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -184.849413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.849413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.849413 (E_RNA)
where:
Base-Base interactions energy: -115.636
where: short stacking energy: -58.081
Base-Backbone interact. energy: -0.161
local terms energy: -69.052044
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -14.736
tors. eta vs tors. theta energy: -11.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -167.087346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.087346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.087346 (E_RNA)
where:
Base-Base interactions energy: -106.157
where: short stacking energy: -57.099
Base-Backbone interact. energy: -0.387
local terms energy: -60.543417
where:
bonds (distance) C4'-P energy: -6.736
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -16.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -93.094184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.094184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.094184 (E_RNA)
where:
Base-Base interactions energy: -43.594
where: short stacking energy: -37.509
Base-Backbone interact. energy: -0.173
local terms energy: -49.326563
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -6.739
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -4.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -130.371093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.371093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.371093 (E_RNA)
where:
Base-Base interactions energy: -70.469
where: short stacking energy: -31.816
Base-Backbone interact. energy: 1.030
local terms energy: -60.932036
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -7.644
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: 322
Temperature: 1.300000
Total energy: -85.509274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.509274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.509274 (E_RNA)
where:
Base-Base interactions energy: -32.042
where: short stacking energy: -31.893
Base-Backbone interact. energy: -0.116
local terms energy: -53.351326
where:
bonds (distance) C4'-P energy: -10.568
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -7.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -72.077181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.077181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.077181 (E_RNA)
where:
Base-Base interactions energy: -27.263
where: short stacking energy: -24.513
Base-Backbone interact. energy: -0.034
local terms energy: -44.780712
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -8.858
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -4.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -212.897461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.897461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.897461 (E_RNA)
where:
Base-Base interactions energy: -139.154
where: short stacking energy: -68.397
Base-Backbone interact. energy: -0.127
local terms energy: -73.616315
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -15.619
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: 3
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -195.646349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.646349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.646349 (E_RNA)
where:
Base-Base interactions energy: -129.858
where: short stacking energy: -60.377
Base-Backbone interact. energy: -0.206
local terms energy: -65.581385
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -11.713
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -14.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -206.030780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.030780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.030780 (E_RNA)
where:
Base-Base interactions energy: -136.689
where: short stacking energy: -59.452
Base-Backbone interact. energy: -0.433
local terms energy: -68.908571
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -10.546
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -17.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -183.656452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.656452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.656452 (E_RNA)
where:
Base-Base interactions energy: -120.539
where: short stacking energy: -63.602
Base-Backbone interact. energy: -0.015
local terms energy: -63.102869
where:
bonds (distance) C4'-P energy: -9.599
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -16.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -166.232579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.232579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.232579 (E_RNA)
where:
Base-Base interactions energy: -100.552
where: short stacking energy: -50.108
Base-Backbone interact. energy: -0.328
local terms energy: -65.352227
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -10.597
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -13.636
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: 2
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -99.806028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.806028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.806028 (E_RNA)
where:
Base-Base interactions energy: -37.980
where: short stacking energy: -37.980
Base-Backbone interact. energy: 0.460
local terms energy: -62.286366
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -10.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -148.643125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.643125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.643125 (E_RNA)
where:
Base-Base interactions energy: -94.758
where: short stacking energy: -47.080
Base-Backbone interact. energy: -0.912
local terms energy: -52.972628
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -5.664
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: 323
Temperature: 1.250000
Total energy: -130.407196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.407196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.407196 (E_RNA)
where:
Base-Base interactions energy: -82.580
where: short stacking energy: -44.400
Base-Backbone interact. energy: -0.035
local terms energy: -47.791882
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -8.630
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -4.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -91.476893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.476893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.476893 (E_RNA)
where:
Base-Base interactions energy: -40.056
where: short stacking energy: -30.021
Base-Backbone interact. energy: -0.242
local terms energy: -51.178901
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -5.533
tors. eta vs tors. theta energy: -3.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -89.397069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.397069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.397069 (E_RNA)
where:
Base-Base interactions energy: -35.000
where: short stacking energy: -34.823
Base-Backbone interact. energy: -0.304
local terms energy: -54.093136
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -8.591
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -10.781
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: 1
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -215.459671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.459671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.459671 (E_RNA)
where:
Base-Base interactions energy: -144.763
where: short stacking energy: -57.671
Base-Backbone interact. energy: -0.033
local terms energy: -70.664181
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -17.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -187.278560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.278560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.278560 (E_RNA)
where:
Base-Base interactions energy: -123.394
where: short stacking energy: -60.074
Base-Backbone interact. energy: 0.904
local terms energy: -64.788947
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -14.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -201.014698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.014698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.014698 (E_RNA)
where:
Base-Base interactions energy: -131.072
where: short stacking energy: -63.753
Base-Backbone interact. energy: -0.002
local terms energy: -69.941396
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -16.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -179.519000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.519000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.519000 (E_RNA)
where:
Base-Base interactions energy: -111.081
where: short stacking energy: -61.371
Base-Backbone interact. energy: -0.002
local terms energy: -68.436163
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -14.591
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: 5
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -185.964763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.964763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.964763 (E_RNA)
where:
Base-Base interactions energy: -116.721
where: short stacking energy: -66.562
Base-Backbone interact. energy: -0.051
local terms energy: -69.193172
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -10.291
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -17.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -108.341737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.341737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.341737 (E_RNA)
where:
Base-Base interactions energy: -50.230
where: short stacking energy: -37.664
Base-Backbone interact. energy: -0.061
local terms energy: -58.050341
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -11.782
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -7.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -142.719812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.719812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.719812 (E_RNA)
where:
Base-Base interactions energy: -90.622
where: short stacking energy: -38.509
Base-Backbone interact. energy: -0.069
local terms energy: -52.028533
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -10.210
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -9.765
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: 8, replica: 8
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -91.672613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.672613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.672613 (E_RNA)
where:
Base-Base interactions energy: -34.385
where: short stacking energy: -31.141
Base-Backbone interact. energy: -0.122
local terms energy: -57.165048
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -3.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -80.451983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.451983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.451983 (E_RNA)
where:
Base-Base interactions energy: -31.235
where: short stacking energy: -31.235
Base-Backbone interact. energy: -0.219
local terms energy: -48.997217
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -6.850
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -6.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -83.394608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.394608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.394608 (E_RNA)
where:
Base-Base interactions energy: -24.110
where: short stacking energy: -24.110
Base-Backbone interact. energy: -0.153
local terms energy: -59.131120
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -6.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -226.895857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.895857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.895857 (E_RNA)
where:
Base-Base interactions energy: -152.058
where: short stacking energy: -66.800
Base-Backbone interact. energy: -0.036
local terms energy: -74.802439
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -20.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -187.405345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.405345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.405345 (E_RNA)
where:
Base-Base interactions energy: -116.018
where: short stacking energy: -53.000
Base-Backbone interact. energy: -0.706
local terms energy: -70.681216
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -13.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -204.995707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.995707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.995707 (E_RNA)
where:
Base-Base interactions energy: -130.129
where: short stacking energy: -64.921
Base-Backbone interact. energy: -0.024
local terms energy: -74.843045
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -19.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -188.081035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.081035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.081035 (E_RNA)
where:
Base-Base interactions energy: -114.773
where: short stacking energy: -60.691
Base-Backbone interact. energy: -0.029
local terms energy: -73.278303
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -19.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -166.360565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.360565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.360565 (E_RNA)
where:
Base-Base interactions energy: -104.449
where: short stacking energy: -54.200
Base-Backbone interact. energy: -0.003
local terms energy: -61.908291
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -13.196
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: 325
Temperature: 1.150000
Total energy: -121.224882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.224882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.224882 (E_RNA)
where:
Base-Base interactions energy: -57.884
where: short stacking energy: -31.532
Base-Backbone interact. energy: -1.425
local terms energy: -61.915749
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -7.676
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: 325
Temperature: 1.200000
Total energy: -96.659102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.659102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.659102 (E_RNA)
where:
Base-Base interactions energy: -53.716
where: short stacking energy: -31.419
Base-Backbone interact. energy: -0.232
local terms energy: -42.711313
where:
bonds (distance) C4'-P energy: -7.403
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -9.014
flat angles P-C4'-P energy: -3.605
tors. eta vs tors. theta energy: -4.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -84.610243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.610243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.610243 (E_RNA)
where:
Base-Base interactions energy: -30.722
where: short stacking energy: -30.239
Base-Backbone interact. energy: -0.125
local terms energy: -53.762891
where:
bonds (distance) C4'-P energy: -11.463
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -9.901
flat angles P-C4'-P energy: -9.599
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: 8
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -76.328414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.328414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.328414 (E_RNA)
where:
Base-Base interactions energy: -31.207
where: short stacking energy: -31.179
Base-Backbone interact. energy: -0.167
local terms energy: -44.954527
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -9.138
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: 1.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -80.446512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.446512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.446512 (E_RNA)
where:
Base-Base interactions energy: -27.155
where: short stacking energy: -18.735
Base-Backbone interact. energy: -1.022
local terms energy: -52.269471
where:
bonds (distance) C4'-P energy: -8.751
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -2.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -231.516859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.516859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.516859 (E_RNA)
where:
Base-Base interactions energy: -147.428
where: short stacking energy: -75.378
Base-Backbone interact. energy: -0.008
local terms energy: -84.081339
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -23.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -191.401603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.401603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.401603 (E_RNA)
where:
Base-Base interactions energy: -121.671
where: short stacking energy: -54.422
Base-Backbone interact. energy: -0.403
local terms energy: -69.327625
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -13.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -209.432367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.432367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.432367 (E_RNA)
where:
Base-Base interactions energy: -130.933
where: short stacking energy: -70.959
Base-Backbone interact. energy: -0.023
local terms energy: -78.476841
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -11.395
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: 4, replica: 5
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -186.803872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.803872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.803872 (E_RNA)
where:
Base-Base interactions energy: -120.954
where: short stacking energy: -54.378
Base-Backbone interact. energy: -0.313
local terms energy: -65.537201
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -15.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -149.193908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.193908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.193908 (E_RNA)
where:
Base-Base interactions energy: -89.467
where: short stacking energy: -48.343
Base-Backbone interact. energy: -0.121
local terms energy: -59.606171
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: -12.569
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: 10
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -172.780452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.780452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.780452 (E_RNA)
where:
Base-Base interactions energy: -103.312
where: short stacking energy: -60.878
Base-Backbone interact. energy: -0.226
local terms energy: -69.242326
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -9.658
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: 6
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -117.412667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.412667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.412667 (E_RNA)
where:
Base-Base interactions energy: -64.208
where: short stacking energy: -37.734
Base-Backbone interact. energy: 1.190
local terms energy: -54.394389
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -7.294
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: 8, replica: 2
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -79.778690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.778690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.778690 (E_RNA)
where:
Base-Base interactions energy: -35.655
where: short stacking energy: -26.326
Base-Backbone interact. energy: 0.582
local terms energy: -44.706087
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -5.584
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -6.446
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: 9
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -94.409808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.409808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.409808 (E_RNA)
where:
Base-Base interactions energy: -36.139
where: short stacking energy: -36.001
Base-Backbone interact. energy: -0.860
local terms energy: -57.410971
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -7.343
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: 8
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -91.969500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.969500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.969500 (E_RNA)
where:
Base-Base interactions energy: -43.821
where: short stacking energy: -42.484
Base-Backbone interact. energy: -0.019
local terms energy: -48.129601
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -8.667
flat angles P-C4'-P energy: -1.802
tors. eta vs tors. theta energy: -11.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -226.769042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.769042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.769042 (E_RNA)
where:
Base-Base interactions energy: -149.599
where: short stacking energy: -78.228
Base-Backbone interact. energy: 0.201
local terms energy: -77.370700
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -23.246
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: 2, replica: 7
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -209.873628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.873628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.873628 (E_RNA)
where:
Base-Base interactions energy: -128.031
where: short stacking energy: -67.958
Base-Backbone interact. energy: -0.022
local terms energy: -81.820619
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -18.380
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -20.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -193.453438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.453438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.453438 (E_RNA)
where:
Base-Base interactions energy: -117.535
where: short stacking energy: -65.933
Base-Backbone interact. energy: -0.746
local terms energy: -75.172613
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -18.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -157.966186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.966186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.966186 (E_RNA)
where:
Base-Base interactions energy: -94.398
where: short stacking energy: -48.962
Base-Backbone interact. energy: -0.855
local terms energy: -62.712951
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -9.340
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -12.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -179.869711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.869711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.869711 (E_RNA)
where:
Base-Base interactions energy: -113.111
where: short stacking energy: -59.799
Base-Backbone interact. energy: -0.038
local terms energy: -66.721096
where:
bonds (distance) C4'-P energy: -9.979
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -14.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -168.059643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.059643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.059643 (E_RNA)
where:
Base-Base interactions energy: -97.730
where: short stacking energy: -58.346
Base-Backbone interact. energy: -0.071
local terms energy: -70.258682
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -14.476
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: 6
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -114.789587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.789587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.789587 (E_RNA)
where:
Base-Base interactions energy: -60.068
where: short stacking energy: -33.896
Base-Backbone interact. energy: -0.366
local terms energy: -54.355124
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -3.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -83.980232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.980232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.980232 (E_RNA)
where:
Base-Base interactions energy: -41.490
where: short stacking energy: -22.634
Base-Backbone interact. energy: -0.539
local terms energy: -41.950410
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -10.633
flat angles P-C4'-P energy: -6.150
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: 9, replica: 2
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -75.044744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.044744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.044744 (E_RNA)
where:
Base-Base interactions energy: -33.154
where: short stacking energy: -20.195
Base-Backbone interact. energy: 0.505
local terms energy: -42.396488
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -8.067
flat angles P-C4'-P energy: -9.060
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: 8
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -87.252421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.252421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.252421 (E_RNA)
where:
Base-Base interactions energy: -36.267
where: short stacking energy: -27.170
Base-Backbone interact. energy: -0.041
local terms energy: -50.944047
where:
bonds (distance) C4'-P energy: -6.737
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -6.645
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: 7
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -212.296626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.296626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.296626 (E_RNA)
where:
Base-Base interactions energy: -134.060
where: short stacking energy: -67.552
Base-Backbone interact. energy: -0.481
local terms energy: -77.754922
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -20.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -220.303096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.303096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.303096 (E_RNA)
where:
Base-Base interactions energy: -142.584
where: short stacking energy: -73.622
Base-Backbone interact. energy: -0.018
local terms energy: -77.701561
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -21.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -190.887000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.887000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.887000 (E_RNA)
where:
Base-Base interactions energy: -120.100
where: short stacking energy: -58.042
Base-Backbone interact. energy: -0.886
local terms energy: -69.901382
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -6.507
tors. eta vs tors. theta energy: -14.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -163.454275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.454275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.454275 (E_RNA)
where:
Base-Base interactions energy: -96.284
where: short stacking energy: -66.407
Base-Backbone interact. energy: -0.383
local terms energy: -66.786698
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -15.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -175.304636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.304636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.304636 (E_RNA)
where:
Base-Base interactions energy: -110.722
where: short stacking energy: -55.659
Base-Backbone interact. energy: -0.074
local terms energy: -64.508742
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -12.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -175.916863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.916863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.916863 (E_RNA)
where:
Base-Base interactions energy: -109.379
where: short stacking energy: -60.836
Base-Backbone interact. energy: -0.130
local terms energy: -66.407880
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -14.846
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: 7, replica: 9
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -106.678526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.678526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.678526 (E_RNA)
where:
Base-Base interactions energy: -47.562
where: short stacking energy: -39.319
Base-Backbone interact. energy: -0.193
local terms energy: -58.924366
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -6.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -79.591201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.591201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.591201 (E_RNA)
where:
Base-Base interactions energy: -43.540
where: short stacking energy: -19.247
Base-Backbone interact. energy: -0.590
local terms energy: -35.460466
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -7.529
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -3.367
tors. eta vs tors. theta energy: 3.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -78.593002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.593002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.593002 (E_RNA)
where:
Base-Base interactions energy: -33.481
where: short stacking energy: -27.588
Base-Backbone interact. energy: -0.396
local terms energy: -44.716854
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -6.240
tors. eta vs tors. theta energy: -0.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -79.954563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.954563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.954563 (E_RNA)
where:
Base-Base interactions energy: -32.209
where: short stacking energy: -24.003
Base-Backbone interact. energy: -0.134
local terms energy: -47.611680
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -7.867
flat angles P-C4'-P energy: -5.633
tors. eta vs tors. theta energy: -5.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -217.073691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.073691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.073691 (E_RNA)
where:
Base-Base interactions energy: -138.173
where: short stacking energy: -70.474
Base-Backbone interact. energy: -0.001
local terms energy: -78.899895
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -18.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -189.601119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.601119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.601119 (E_RNA)
where:
Base-Base interactions energy: -113.612
where: short stacking energy: -65.451
Base-Backbone interact. energy: -0.014
local terms energy: -75.975443
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -17.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -214.553184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.553184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.553184 (E_RNA)
where:
Base-Base interactions energy: -141.471
where: short stacking energy: -59.581
Base-Backbone interact. energy: -0.126
local terms energy: -72.956193
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -18.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -169.975780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.975780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.975780 (E_RNA)
where:
Base-Base interactions energy: -97.131
where: short stacking energy: -52.804
Base-Backbone interact. energy: -0.074
local terms energy: -72.770582
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -14.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -150.779366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.779366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.779366 (E_RNA)
where:
Base-Base interactions energy: -87.231
where: short stacking energy: -46.430
Base-Backbone interact. energy: 0.511
local terms energy: -64.059586
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -12.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -166.511723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.511723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.511723 (E_RNA)
where:
Base-Base interactions energy: -104.914
where: short stacking energy: -44.323
Base-Backbone interact. energy: 0.470
local terms energy: -62.067595
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -5.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -97.045117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.045117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.045117 (E_RNA)
where:
Base-Base interactions energy: -45.425
where: short stacking energy: -38.544
Base-Backbone interact. energy: -0.062
local terms energy: -51.558110
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -5.512
tors. eta vs tors. theta energy: -4.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -80.615320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.615320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.615320 (E_RNA)
where:
Base-Base interactions energy: -37.753
where: short stacking energy: -12.509
Base-Backbone interact. energy: 0.162
local terms energy: -43.023794
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -6.251
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: 9, replica: 8
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -82.707880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.707880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.707880 (E_RNA)
where:
Base-Base interactions energy: -31.333
where: short stacking energy: -29.173
Base-Backbone interact. energy: -0.030
local terms energy: -51.345061
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -3.173
tors. eta vs tors. theta energy: -4.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -81.444872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.444872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.444872 (E_RNA)
where:
Base-Base interactions energy: -34.065
where: short stacking energy: -17.090
Base-Backbone interact. energy: -0.238
local terms energy: -47.142223
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -9.502
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: 0.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -220.951825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.951825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.951825 (E_RNA)
where:
Base-Base interactions energy: -146.795
where: short stacking energy: -74.610
Base-Backbone interact. energy: -0.239
local terms energy: -73.918150
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -20.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -193.654066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.654066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.654066 (E_RNA)
where:
Base-Base interactions energy: -125.413
where: short stacking energy: -62.509
Base-Backbone interact. energy: -0.557
local terms energy: -67.683743
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -15.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -218.539836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.539836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.539836 (E_RNA)
where:
Base-Base interactions energy: -143.355
where: short stacking energy: -71.768
Base-Backbone interact. energy: -0.900
local terms energy: -74.285048
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -22.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -179.832746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.832746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.832746 (E_RNA)
where:
Base-Base interactions energy: -108.804
where: short stacking energy: -63.845
Base-Backbone interact. energy: 0.858
local terms energy: -71.886711
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -16.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -185.632785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.632785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.632785 (E_RNA)
where:
Base-Base interactions energy: -110.153
where: short stacking energy: -65.669
Base-Backbone interact. energy: -0.017
local terms energy: -75.462491
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -20.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -161.046459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.046459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.046459 (E_RNA)
where:
Base-Base interactions energy: -103.874
where: short stacking energy: -50.655
Base-Backbone interact. energy: -0.141
local terms energy: -57.031159
where:
bonds (distance) C4'-P energy: -9.798
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -10.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -94.500858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.500858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.500858 (E_RNA)
where:
Base-Base interactions energy: -36.152
where: short stacking energy: -29.580
Base-Backbone interact. energy: -0.443
local terms energy: -57.905649
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -4.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -85.019075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.019075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.019075 (E_RNA)
where:
Base-Base interactions energy: -31.509
where: short stacking energy: -24.757
Base-Backbone interact. energy: -0.012
local terms energy: -53.498153
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -5.801
tors. eta vs tors. theta energy: -4.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -78.320286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.320286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.320286 (E_RNA)
where:
Base-Base interactions energy: -39.081
where: short stacking energy: -21.976
Base-Backbone interact. energy: 4.480
local terms energy: -43.718703
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -6.072
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: 5.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -117.438424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.438424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.438424 (E_RNA)
where:
Base-Base interactions energy: -65.278
where: short stacking energy: -31.464
Base-Backbone interact. energy: -0.096
local terms energy: -52.064783
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -10.356
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -8.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -214.330266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.330266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.330266 (E_RNA)
where:
Base-Base interactions energy: -135.053
where: short stacking energy: -66.997
Base-Backbone interact. energy: -0.091
local terms energy: -79.186434
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -9.501
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: 2, replica: 1
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -220.193332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.193332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.193332 (E_RNA)
where:
Base-Base interactions energy: -144.801
where: short stacking energy: -67.375
Base-Backbone interact. energy: -0.369
local terms energy: -75.023702
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -21.050
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: 331
Temperature: 1.000000
Total energy: -187.830044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.830044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.830044 (E_RNA)
where:
Base-Base interactions energy: -115.436
where: short stacking energy: -71.644
Base-Backbone interact. energy: -0.154
local terms energy: -72.240653
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -10.301
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: 4, replica: 4
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -174.500486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.500486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.500486 (E_RNA)
where:
Base-Base interactions energy: -117.686
where: short stacking energy: -47.000
Base-Backbone interact. energy: -0.175
local terms energy: -56.639598
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -8.281
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: 10
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -183.819777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.819777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.819777 (E_RNA)
where:
Base-Base interactions energy: -113.765
where: short stacking energy: -63.956
Base-Backbone interact. energy: -0.323
local terms energy: -69.731618
where:
bonds (distance) C4'-P energy: -9.747
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -19.564
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: 5
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -165.692273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.692273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.692273 (E_RNA)
where:
Base-Base interactions energy: -99.014
where: short stacking energy: -52.854
Base-Backbone interact. energy: -0.004
local terms energy: -66.674856
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -12.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -86.200953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.200953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.200953 (E_RNA)
where:
Base-Base interactions energy: -32.250
where: short stacking energy: -32.250
Base-Backbone interact. energy: -0.073
local terms energy: -53.878764
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -10.278
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: 8, replica: 6
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -93.465403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.465403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.465403 (E_RNA)
where:
Base-Base interactions energy: -40.423
where: short stacking energy: -33.422
Base-Backbone interact. energy: -0.060
local terms energy: -52.982234
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -5.667
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: 9, replica: 2
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -81.968159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.968159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.968159 (E_RNA)
where:
Base-Base interactions energy: -32.000
where: short stacking energy: -29.478
Base-Backbone interact. energy: 0.055
local terms energy: -50.022272
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -10.431
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -6.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -108.990896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.990896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.990896 (E_RNA)
where:
Base-Base interactions energy: -62.186
where: short stacking energy: -23.747
Base-Backbone interact. energy: -0.599
local terms energy: -46.206236
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -8.854
flat angles P-C4'-P energy: -4.845
tors. eta vs tors. theta energy: -3.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -228.384161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.384161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.384161 (E_RNA)
where:
Base-Base interactions energy: -143.423
where: short stacking energy: -66.667
Base-Backbone interact. energy: -0.083
local terms energy: -84.879056
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -14.460
tors. eta vs tors. theta energy: -21.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -211.702185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.702185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.702185 (E_RNA)
where:
Base-Base interactions energy: -132.383
where: short stacking energy: -68.016
Base-Backbone interact. energy: -0.068
local terms energy: -79.250892
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -22.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -187.627591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.627591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.627591 (E_RNA)
where:
Base-Base interactions energy: -115.340
where: short stacking energy: -64.212
Base-Backbone interact. energy: -0.307
local terms energy: -71.980331
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -19.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -159.954415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.954415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.954415 (E_RNA)
where:
Base-Base interactions energy: -85.486
where: short stacking energy: -54.332
Base-Backbone interact. energy: -0.441
local terms energy: -74.027700
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -12.323
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: 5, replica: 5
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -165.079055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.079055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.079055 (E_RNA)
where:
Base-Base interactions energy: -100.765
where: short stacking energy: -46.671
Base-Backbone interact. energy: -0.817
local terms energy: -63.497539
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -7.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -165.440375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.440375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.440375 (E_RNA)
where:
Base-Base interactions energy: -98.862
where: short stacking energy: -46.662
Base-Backbone interact. energy: -0.025
local terms energy: -66.553014
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -14.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -104.424581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.424581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.424581 (E_RNA)
where:
Base-Base interactions energy: -56.960
where: short stacking energy: -39.835
Base-Backbone interact. energy: -0.051
local terms energy: -47.413116
where:
bonds (distance) C4'-P energy: -6.713
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -5.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -85.911305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.911305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.911305 (E_RNA)
where:
Base-Base interactions energy: -32.653
where: short stacking energy: -31.322
Base-Backbone interact. energy: -0.148
local terms energy: -53.110243
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -4.765
tors. eta vs tors. theta energy: -8.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -82.069166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.069166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.069166 (E_RNA)
where:
Base-Base interactions energy: -35.198
where: short stacking energy: -22.994
Base-Backbone interact. energy: -0.013
local terms energy: -46.858586
where:
bonds (distance) C4'-P energy: -9.210
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -5.193
tors. eta vs tors. theta energy: -4.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -84.967388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.967388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.967388 (E_RNA)
where:
Base-Base interactions energy: -34.217
where: short stacking energy: -32.935
Base-Backbone interact. energy: -0.089
local terms energy: -50.660681
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -8.486
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -7.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -228.381893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.381893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.381893 (E_RNA)
where:
Base-Base interactions energy: -155.136
where: short stacking energy: -69.027
Base-Backbone interact. energy: -0.720
local terms energy: -72.526201
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -11.568
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -20.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -213.228626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.228626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.228626 (E_RNA)
where:
Base-Base interactions energy: -139.015
where: short stacking energy: -68.434
Base-Backbone interact. energy: 0.188
local terms energy: -74.401765
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -12.498
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: 3, replica: 3
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -201.038328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.038328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.038328 (E_RNA)
where:
Base-Base interactions energy: -128.643
where: short stacking energy: -72.607
Base-Backbone interact. energy: -0.006
local terms energy: -72.389636
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -20.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -187.982044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.982044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.982044 (E_RNA)
where:
Base-Base interactions energy: -114.545
where: short stacking energy: -68.742
Base-Backbone interact. energy: -0.670
local terms energy: -72.766483
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -17.081
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: 5
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -160.733592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.733592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.733592 (E_RNA)
where:
Base-Base interactions energy: -99.437
where: short stacking energy: -49.626
Base-Backbone interact. energy: -0.128
local terms energy: -61.169017
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -10.074
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -8.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -105.815345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.815345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.815345 (E_RNA)
where:
Base-Base interactions energy: -52.725
where: short stacking energy: -29.562
Base-Backbone interact. energy: -0.849
local terms energy: -52.241704
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -10.739
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -3.654
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: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -160.058966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.058966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.058966 (E_RNA)
where:
Base-Base interactions energy: -103.032
where: short stacking energy: -55.518
Base-Backbone interact. energy: -0.184
local terms energy: -56.842895
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -10.532
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -11.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -90.679413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.679413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.679413 (E_RNA)
where:
Base-Base interactions energy: -42.514
where: short stacking energy: -26.833
Base-Backbone interact. energy: -1.335
local terms energy: -46.829991
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -7.003
flat angles P-C4'-P energy: -8.550
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: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -81.709349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.709349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.709349 (E_RNA)
where:
Base-Base interactions energy: -34.073
where: short stacking energy: -31.103
Base-Backbone interact. energy: -0.204
local terms energy: -47.432358
where:
bonds (distance) C4'-P energy: -5.067
bonds (distance) P-C4' energy: -13.594
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -6.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -89.337955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.337955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.337955 (E_RNA)
where:
Base-Base interactions energy: -32.233
where: short stacking energy: -32.233
Base-Backbone interact. energy: -0.203
local terms energy: -56.901117
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -3.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -223.090822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.090822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.090822 (E_RNA)
where:
Base-Base interactions energy: -141.646
where: short stacking energy: -63.173
Base-Backbone interact. energy: -0.073
local terms energy: -81.371873
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -12.735
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -12.858
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: 2, replica: 7
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -214.064151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.064151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.064151 (E_RNA)
where:
Base-Base interactions energy: -133.247
where: short stacking energy: -67.223
Base-Backbone interact. energy: -0.065
local terms energy: -80.752960
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -20.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -196.837388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.837388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.837388 (E_RNA)
where:
Base-Base interactions energy: -121.941
where: short stacking energy: -56.700
Base-Backbone interact. energy: -0.153
local terms energy: -74.743885
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -19.425
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -14.870
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: 3
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -178.442064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.442064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.442064 (E_RNA)
where:
Base-Base interactions energy: -109.794
where: short stacking energy: -61.587
Base-Backbone interact. energy: -0.000
local terms energy: -68.647893
where:
bonds (distance) C4'-P energy: -11.215
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -19.660
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: 5, replica: 5
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -160.900386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.900386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.900386 (E_RNA)
where:
Base-Base interactions energy: -93.996
where: short stacking energy: -44.006
Base-Backbone interact. energy: -0.115
local terms energy: -66.789536
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -12.237
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: 6
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -101.815152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.815152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.815152 (E_RNA)
where:
Base-Base interactions energy: -41.079
where: short stacking energy: -37.324
Base-Backbone interact. energy: -0.314
local terms energy: -60.422453
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -9.671
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -10.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -146.376660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.376660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.376660 (E_RNA)
where:
Base-Base interactions energy: -82.191
where: short stacking energy: -41.989
Base-Backbone interact. energy: -0.423
local terms energy: -63.762217
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -19.381
flat angles C4'-P-C4' energy: -10.663
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -9.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -95.272298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.272298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.272298 (E_RNA)
where:
Base-Base interactions energy: -44.361
where: short stacking energy: -39.851
Base-Backbone interact. energy: -0.138
local terms energy: -50.773857
where:
bonds (distance) C4'-P energy: -9.364
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -3.124
tors. eta vs tors. theta energy: -12.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -94.377183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.377183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.377183 (E_RNA)
where:
Base-Base interactions energy: -39.382
where: short stacking energy: -38.074
Base-Backbone interact. energy: -0.031
local terms energy: -54.964337
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -4.144
tors. eta vs tors. theta energy: -8.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -77.856892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.856892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.856892 (E_RNA)
where:
Base-Base interactions energy: -44.350
where: short stacking energy: -25.151
Base-Backbone interact. energy: 2.123
local terms energy: -35.629466
where:
bonds (distance) C4'-P energy: -7.706
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -8.729
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: 0.611
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: 1, replica: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -225.568922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.568922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.568922 (E_RNA)
where:
Base-Base interactions energy: -147.545
where: short stacking energy: -73.253
Base-Backbone interact. energy: -0.319
local terms energy: -77.705782
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -17.778
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -8.553
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: 7
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -205.327039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.327039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.327039 (E_RNA)
where:
Base-Base interactions energy: -134.056
where: short stacking energy: -62.337
Base-Backbone interact. energy: -0.017
local terms energy: -71.253699
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -9.908
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: 3, replica: 4
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -195.147842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.147842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.147842 (E_RNA)
where:
Base-Base interactions energy: -120.580
where: short stacking energy: -55.781
Base-Backbone interact. energy: -0.079
local terms energy: -74.489044
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -10.028
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: 4, replica: 3
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -179.836592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.836592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.836592 (E_RNA)
where:
Base-Base interactions energy: -115.876
where: short stacking energy: -68.791
Base-Backbone interact. energy: -0.135
local terms energy: -63.825688
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -9.651
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -16.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -158.021572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.021572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.021572 (E_RNA)
where:
Base-Base interactions energy: -94.651
where: short stacking energy: -50.218
Base-Backbone interact. energy: -0.059
local terms energy: -63.312018
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -8.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -148.429931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.429931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.429931 (E_RNA)
where:
Base-Base interactions energy: -87.051
where: short stacking energy: -43.369
Base-Backbone interact. energy: 0.986
local terms energy: -62.364630
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -9.318
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -10.600
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: 6
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -92.196852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.196852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.196852 (E_RNA)
where:
Base-Base interactions energy: -43.533
where: short stacking energy: -39.776
Base-Backbone interact. energy: -0.258
local terms energy: -48.405614
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -9.684
flat angles P-C4'-P energy: -3.579
tors. eta vs tors. theta energy: -9.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -88.504471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.504471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.504471 (E_RNA)
where:
Base-Base interactions energy: -40.970
where: short stacking energy: -26.001
Base-Backbone interact. energy: -0.180
local terms energy: -47.354800
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -0.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -84.425979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.425979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.425979 (E_RNA)
where:
Base-Base interactions energy: -31.148
where: short stacking energy: -28.345
Base-Backbone interact. energy: -0.131
local terms energy: -53.146817
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -6.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -77.664068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.664068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.664068 (E_RNA)
where:
Base-Base interactions energy: -32.948
where: short stacking energy: -28.884
Base-Backbone interact. energy: -1.219
local terms energy: -43.497290
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -9.889
flat angles P-C4'-P energy: -5.777
tors. eta vs tors. theta energy: 0.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -212.114933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.114933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.114933 (E_RNA)
where:
Base-Base interactions energy: -141.486
where: short stacking energy: -60.887
Base-Backbone interact. energy: -0.006
local terms energy: -70.622675
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -13.215
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: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -220.346419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.346419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.346419 (E_RNA)
where:
Base-Base interactions energy: -150.503
where: short stacking energy: -72.397
Base-Backbone interact. energy: -0.260
local terms energy: -69.583495
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -16.277
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: 3
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -191.493882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.493882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.493882 (E_RNA)
where:
Base-Base interactions energy: -117.817
where: short stacking energy: -71.352
Base-Backbone interact. energy: -0.296
local terms energy: -73.380094
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -18.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -179.681471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.681471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.681471 (E_RNA)
where:
Base-Base interactions energy: -113.458
where: short stacking energy: -61.536
Base-Backbone interact. energy: -0.101
local terms energy: -66.122734
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -9.409
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -15.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -167.164625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.164625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.164625 (E_RNA)
where:
Base-Base interactions energy: -116.374
where: short stacking energy: -48.985
Base-Backbone interact. energy: -0.382
local terms energy: -50.408966
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -7.079
flat angles C4'-P-C4' energy: -10.061
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -10.521
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: 5
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -163.269419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.269419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.269419 (E_RNA)
where:
Base-Base interactions energy: -106.533
where: short stacking energy: -44.953
Base-Backbone interact. energy: -0.187
local terms energy: -56.549678
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -10.187
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -8.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -104.154330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.154330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.154330 (E_RNA)
where:
Base-Base interactions energy: -50.500
where: short stacking energy: -34.491
Base-Backbone interact. energy: -0.174
local terms energy: -53.480849
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -8.501
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: 336
Temperature: 1.250000
Total energy: -98.970479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.970479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.970479 (E_RNA)
where:
Base-Base interactions energy: -38.268
where: short stacking energy: -29.325
Base-Backbone interact. energy: -0.077
local terms energy: -60.626114
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -7.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -88.047293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.047293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.047293 (E_RNA)
where:
Base-Base interactions energy: -56.774
where: short stacking energy: -36.836
Base-Backbone interact. energy: -0.024
local terms energy: -31.249660
where:
bonds (distance) C4'-P energy: -6.895
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -6.692
flat angles P-C4'-P energy: -4.468
tors. eta vs tors. theta energy: 0.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -83.443114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.443114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.443114 (E_RNA)
where:
Base-Base interactions energy: -36.297
where: short stacking energy: -31.894
Base-Backbone interact. energy: 0.119
local terms energy: -47.264723
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -4.190
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: 7
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -212.331147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.331147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.331147 (E_RNA)
where:
Base-Base interactions energy: -133.336
where: short stacking energy: -69.750
Base-Backbone interact. energy: -0.224
local terms energy: -78.771903
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -18.614
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -18.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -219.196648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.196648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.196648 (E_RNA)
where:
Base-Base interactions energy: -143.946
where: short stacking energy: -61.770
Base-Backbone interact. energy: -0.016
local terms energy: -75.234204
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -18.094
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: 3, replica: 3
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -192.128165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.128165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.128165 (E_RNA)
where:
Base-Base interactions energy: -119.756
where: short stacking energy: -65.452
Base-Backbone interact. energy: -0.003
local terms energy: -72.368653
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -14.817
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: 4, replica: 4
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -186.183149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.183149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.183149 (E_RNA)
where:
Base-Base interactions energy: -113.738
where: short stacking energy: -65.879
Base-Backbone interact. energy: -0.147
local terms energy: -72.297640
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -18.678
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -17.085
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: 5, replica: 10
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -162.876923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.876923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.876923 (E_RNA)
where:
Base-Base interactions energy: -99.643
where: short stacking energy: -54.867
Base-Backbone interact. energy: -0.065
local terms energy: -63.168917
where:
bonds (distance) C4'-P energy: -9.701
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -14.397
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: 5
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -119.876663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.876663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.876663 (E_RNA)
where:
Base-Base interactions energy: -63.617
where: short stacking energy: -32.476
Base-Backbone interact. energy: -0.499
local terms energy: -55.760865
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -1.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -97.949319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.949319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.949319 (E_RNA)
where:
Base-Base interactions energy: -48.053
where: short stacking energy: -25.170
Base-Backbone interact. energy: 0.282
local terms energy: -50.178442
where:
bonds (distance) C4'-P energy: -10.461
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -1.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -89.450113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.450113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.450113 (E_RNA)
where:
Base-Base interactions energy: -37.676
where: short stacking energy: -36.561
Base-Backbone interact. energy: -0.113
local terms energy: -51.660825
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -9.963
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -10.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -81.527883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.527883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.527883 (E_RNA)
where:
Base-Base interactions energy: -29.877
where: short stacking energy: -26.377
Base-Backbone interact. energy: -0.024
local terms energy: -51.626172
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -7.083
tors. eta vs tors. theta energy: -6.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -78.393132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.393132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.393132 (E_RNA)
where:
Base-Base interactions energy: -34.522
where: short stacking energy: -29.482
Base-Backbone interact. energy: -0.265
local terms energy: -43.606026
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -8.993
flat angles P-C4'-P energy: -4.137
tors. eta vs tors. theta energy: -3.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -224.520052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.520052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.520052 (E_RNA)
where:
Base-Base interactions energy: -143.537
where: short stacking energy: -75.616
Base-Backbone interact. energy: -0.109
local terms energy: -80.874074
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -12.745
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: 2, replica: 7
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -200.751155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.751155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.751155 (E_RNA)
where:
Base-Base interactions energy: -126.816
where: short stacking energy: -51.611
Base-Backbone interact. energy: 0.526
local terms energy: -74.460670
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -11.710
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: 3, replica: 4
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -181.636176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.636176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.636176 (E_RNA)
where:
Base-Base interactions energy: -103.802
where: short stacking energy: -64.429
Base-Backbone interact. energy: -0.003
local terms energy: -77.831066
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -18.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -172.921343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.921343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.921343 (E_RNA)
where:
Base-Base interactions energy: -100.794
where: short stacking energy: -52.579
Base-Backbone interact. energy: -0.125
local terms energy: -72.002284
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -13.821
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: 5, replica: 10
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -181.274476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.274476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.274476 (E_RNA)
where:
Base-Base interactions energy: -112.400
where: short stacking energy: -66.022
Base-Backbone interact. energy: -0.321
local terms energy: -68.553258
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -2.982
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: 5
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -149.735746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.735746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.735746 (E_RNA)
where:
Base-Base interactions energy: -85.890
where: short stacking energy: -49.358
Base-Backbone interact. energy: -0.130
local terms energy: -63.715707
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -13.592
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: 9
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -89.031356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.031356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.031356 (E_RNA)
where:
Base-Base interactions energy: -38.576
where: short stacking energy: -27.953
Base-Backbone interact. energy: 0.046
local terms energy: -50.500585
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -11.242
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -0.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -89.213501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.213501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.213501 (E_RNA)
where:
Base-Base interactions energy: -40.065
where: short stacking energy: -40.065
Base-Backbone interact. energy: -0.009
local terms energy: -49.140067
where:
bonds (distance) C4'-P energy: -6.931
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -6.068
tors. eta vs tors. theta energy: -8.686
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: 9, replica: 6
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -86.372694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.372694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.372694 (E_RNA)
where:
Base-Base interactions energy: -35.300
where: short stacking energy: -35.300
Base-Backbone interact. energy: 1.925
local terms energy: -52.997788
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -6.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -70.892522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.892522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.892522 (E_RNA)
where:
Base-Base interactions energy: -31.889
where: short stacking energy: -27.928
Base-Backbone interact. energy: -0.304
local terms energy: -38.699907
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -11.574
flat angles C4'-P-C4' energy: -9.713
flat angles P-C4'-P energy: -1.389
tors. eta vs tors. theta energy: 0.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -225.289496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.289496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.289496 (E_RNA)
where:
Base-Base interactions energy: -147.825
where: short stacking energy: -73.600
Base-Backbone interact. energy: -0.582
local terms energy: -76.882885
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -8.852
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: 2, replica: 7
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -197.600271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.600271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.600271 (E_RNA)
where:
Base-Base interactions energy: -128.434
where: short stacking energy: -56.480
Base-Backbone interact. energy: -0.069
local terms energy: -69.096782
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -15.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -175.184398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.184398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.184398 (E_RNA)
where:
Base-Base interactions energy: -114.603
where: short stacking energy: -54.108
Base-Backbone interact. energy: 1.292
local terms energy: -61.873843
where:
bonds (distance) C4'-P energy: -10.635
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -6.192
tors. eta vs tors. theta energy: -10.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -183.866612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.866612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.866612 (E_RNA)
where:
Base-Base interactions energy: -114.249
where: short stacking energy: -66.959
Base-Backbone interact. energy: -0.004
local terms energy: -69.614067
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -18.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -164.380125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.380125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.380125 (E_RNA)
where:
Base-Base interactions energy: -103.700
where: short stacking energy: -47.703
Base-Backbone interact. energy: -0.770
local terms energy: -59.910356
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -8.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -101.674010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.674010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.674010 (E_RNA)
where:
Base-Base interactions energy: -54.289
where: short stacking energy: -26.165
Base-Backbone interact. energy: 0.350
local terms energy: -47.735026
where:
bonds (distance) C4'-P energy: -9.591
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -11.465
flat angles P-C4'-P energy: -9.648
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: 5
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -122.633353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.633353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.633353 (E_RNA)
where:
Base-Base interactions energy: -74.264
where: short stacking energy: -31.817
Base-Backbone interact. energy: -0.655
local terms energy: -47.714306
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -9.378
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -5.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -90.214206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.214206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.214206 (E_RNA)
where:
Base-Base interactions energy: -33.727
where: short stacking energy: -31.664
Base-Backbone interact. energy: -0.042
local terms energy: -56.444898
where:
bonds (distance) C4'-P energy: -8.928
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -5.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -75.670241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.670241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.670241 (E_RNA)
where:
Base-Base interactions energy: -25.081
where: short stacking energy: -25.081
Base-Backbone interact. energy: 0.043
local terms energy: -50.632596
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -11.367
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: 0.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -87.658729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.658729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.658729 (E_RNA)
where:
Base-Base interactions energy: -35.794
where: short stacking energy: -34.900
Base-Backbone interact. energy: -0.058
local terms energy: -51.806458
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -6.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -222.369609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.369609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.369609 (E_RNA)
where:
Base-Base interactions energy: -144.528
where: short stacking energy: -68.308
Base-Backbone interact. energy: -0.109
local terms energy: -77.732976
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -20.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -197.941822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.941822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.941822 (E_RNA)
where:
Base-Base interactions energy: -127.485
where: short stacking energy: -59.003
Base-Backbone interact. energy: -0.424
local terms energy: -70.032087
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -11.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -169.646283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.646283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.646283 (E_RNA)
where:
Base-Base interactions energy: -105.298
where: short stacking energy: -43.579
Base-Backbone interact. energy: -0.107
local terms energy: -64.241565
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -10.423
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: 10
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -178.304320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.304320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.304320 (E_RNA)
where:
Base-Base interactions energy: -119.505
where: short stacking energy: -56.739
Base-Backbone interact. energy: -0.859
local terms energy: -57.940597
where:
bonds (distance) C4'-P energy: -5.711
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -14.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -110.407290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.407290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.407290 (E_RNA)
where:
Base-Base interactions energy: -54.835
where: short stacking energy: -40.307
Base-Backbone interact. energy: -0.192
local terms energy: -55.380012
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -8.744
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -6.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -152.778018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.778018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.778018 (E_RNA)
where:
Base-Base interactions energy: -103.825
where: short stacking energy: -36.325
Base-Backbone interact. energy: -1.297
local terms energy: -47.655992
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -4.680
tors. eta vs tors. theta energy: -3.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -88.168079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.168079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.168079 (E_RNA)
where:
Base-Base interactions energy: -32.787
where: short stacking energy: -26.962
Base-Backbone interact. energy: -0.297
local terms energy: -55.084177
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -1.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -94.282132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.282132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.282132 (E_RNA)
where:
Base-Base interactions energy: -46.456
where: short stacking energy: -17.911
Base-Backbone interact. energy: -0.333
local terms energy: -47.492838
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -10.899
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: 1.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -82.103519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.103519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.103519 (E_RNA)
where:
Base-Base interactions energy: -36.086
where: short stacking energy: -28.115
Base-Backbone interact. energy: -0.483
local terms energy: -45.534010
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -9.264
flat angles P-C4'-P energy: -6.266
tors. eta vs tors. theta energy: -4.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -69.638555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.638555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.638555 (E_RNA)
where:
Base-Base interactions energy: -20.523
where: short stacking energy: -16.729
Base-Backbone interact. energy: -0.254
local terms energy: -48.861122
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -7.729
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: 1.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -222.824359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.824359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.824359 (E_RNA)
where:
Base-Base interactions energy: -146.123
where: short stacking energy: -68.890
Base-Backbone interact. energy: -0.003
local terms energy: -76.698218
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -21.101
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: 7
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -207.574196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.574196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.574196 (E_RNA)
where:
Base-Base interactions energy: -131.561
where: short stacking energy: -64.402
Base-Backbone interact. energy: -0.143
local terms energy: -75.870894
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -6.081
tors. eta vs tors. theta energy: -22.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -180.384538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.384538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.384538 (E_RNA)
where:
Base-Base interactions energy: -114.097
where: short stacking energy: -47.337
Base-Backbone interact. energy: -0.186
local terms energy: -66.102033
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -10.332
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -11.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -116.335264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.335264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.335264 (E_RNA)
where:
Base-Base interactions energy: -63.438
where: short stacking energy: -25.725
Base-Backbone interact. energy: -0.175
local terms energy: -52.723086
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -6.233
flat angles P-C4'-P energy: -9.847
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: 5, replica: 10
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -180.931675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.931675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.931675 (E_RNA)
where:
Base-Base interactions energy: -113.121
where: short stacking energy: -61.217
Base-Backbone interact. energy: -0.187
local terms energy: -67.623609
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -13.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -132.436763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.436763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.436763 (E_RNA)
where:
Base-Base interactions energy: -80.393
where: short stacking energy: -31.068
Base-Backbone interact. energy: -1.121
local terms energy: -50.922729
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -12.940
flat angles P-C4'-P energy: -4.635
tors. eta vs tors. theta energy: -2.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -131.541801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.541801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.541801 (E_RNA)
where:
Base-Base interactions energy: -72.728
where: short stacking energy: -49.091
Base-Backbone interact. energy: -0.414
local terms energy: -58.399298
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -8.132
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: 8, replica: 5
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -132.180448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.180448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.180448 (E_RNA)
where:
Base-Base interactions energy: -75.347
where: short stacking energy: -33.418
Base-Backbone interact. energy: -0.032
local terms energy: -56.801511
where:
bonds (distance) C4'-P energy: -8.697
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -8.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -88.629169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.629169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.629169 (E_RNA)
where:
Base-Base interactions energy: -39.309
where: short stacking energy: -34.521
Base-Backbone interact. energy: -0.090
local terms energy: -49.230076
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -4.302
tors. eta vs tors. theta energy: -1.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -81.982729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.982729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.982729 (E_RNA)
where:
Base-Base interactions energy: -33.977
where: short stacking energy: -27.998
Base-Backbone interact. energy: -0.950
local terms energy: -47.056091
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -10.004
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -3.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -227.765259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.765259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.765259 (E_RNA)
where:
Base-Base interactions energy: -148.462
where: short stacking energy: -68.925
Base-Backbone interact. energy: -0.251
local terms energy: -79.052470
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -18.473
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -17.601
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: 2, replica: 7
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -205.683108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.683108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.683108 (E_RNA)
where:
Base-Base interactions energy: -130.842
where: short stacking energy: -65.439
Base-Backbone interact. energy: -0.069
local terms energy: -74.771444
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -20.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -175.435526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.435526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.435526 (E_RNA)
where:
Base-Base interactions energy: -110.520
where: short stacking energy: -50.999
Base-Backbone interact. energy: -0.091
local terms energy: -64.824510
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -12.390
tors. eta vs tors. theta energy: -10.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -115.988428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.988428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.988428 (E_RNA)
where:
Base-Base interactions energy: -54.186
where: short stacking energy: -44.277
Base-Backbone interact. energy: -0.034
local terms energy: -61.768490
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -10.523
flat angles P-C4'-P energy: -10.522
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: 5, replica: 3
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -161.314180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.314180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.314180 (E_RNA)
where:
Base-Base interactions energy: -97.987
where: short stacking energy: -43.435
Base-Backbone interact. energy: -0.408
local terms energy: -62.919348
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -12.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -159.949604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.949604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.949604 (E_RNA)
where:
Base-Base interactions energy: -93.039
where: short stacking energy: -51.610
Base-Backbone interact. energy: -0.406
local terms energy: -66.504188
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -13.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -140.848238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.848238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.848238 (E_RNA)
where:
Base-Base interactions energy: -89.613
where: short stacking energy: -43.089
Base-Backbone interact. energy: -0.114
local terms energy: -51.121604
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -1.308
tors. eta vs tors. theta energy: -8.844
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: 2
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -122.882597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.882597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.882597 (E_RNA)
where:
Base-Base interactions energy: -70.549
where: short stacking energy: -38.867
Base-Backbone interact. energy: -0.075
local terms energy: -52.258915
where:
bonds (distance) C4'-P energy: -8.406
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -6.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -77.437567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.437567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.437567 (E_RNA)
where:
Base-Base interactions energy: -29.216
where: short stacking energy: -26.234
Base-Backbone interact. energy: -0.376
local terms energy: -47.845492
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: 1.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -86.304663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.304663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.304663 (E_RNA)
where:
Base-Base interactions energy: -41.883
where: short stacking energy: -29.718
Base-Backbone interact. energy: -0.166
local terms energy: -44.255494
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -11.674
flat angles P-C4'-P energy: -4.923
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: 1, replica: 1
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -222.201353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.201353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.201353 (E_RNA)
where:
Base-Base interactions energy: -147.521
where: short stacking energy: -72.267
Base-Backbone interact. energy: -0.015
local terms energy: -74.664604
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -14.369
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -20.405
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: 2, replica: 7
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -199.673366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.673366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.673366 (E_RNA)
where:
Base-Base interactions energy: -123.266
where: short stacking energy: -52.974
Base-Backbone interact. energy: -0.121
local terms energy: -76.286861
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -13.568
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: 3, replica: 4
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -180.839405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.839405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.839405 (E_RNA)
where:
Base-Base interactions energy: -115.784
where: short stacking energy: -57.463
Base-Backbone interact. energy: -0.234
local terms energy: -64.820661
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -11.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -169.087350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.087350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.087350 (E_RNA)
where:
Base-Base interactions energy: -103.935
where: short stacking energy: -64.993
Base-Backbone interact. energy: -0.601
local terms energy: -64.551713
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -14.562
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -5.800
tors. eta vs tors. theta energy: -16.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -129.808737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.808737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.808737 (E_RNA)
where:
Base-Base interactions energy: -79.020
where: short stacking energy: -49.828
Base-Backbone interact. energy: -0.003
local terms energy: -50.785799
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -5.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -164.210612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.210612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.210612 (E_RNA)
where:
Base-Base interactions energy: -101.220
where: short stacking energy: -46.576
Base-Backbone interact. energy: -0.144
local terms energy: -62.846373
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -11.890
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -10.652
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: 10
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -134.761141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.761141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.761141 (E_RNA)
where:
Base-Base interactions energy: -89.396
where: short stacking energy: -48.545
Base-Backbone interact. energy: -0.675
local terms energy: -44.689567
where:
bonds (distance) C4'-P energy: -8.351
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -6.620
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -8.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -83.268062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.268062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.268062 (E_RNA)
where:
Base-Base interactions energy: -32.542
where: short stacking energy: -23.635
Base-Backbone interact. energy: -0.343
local terms energy: -50.383405
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -9.716
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: 9, replica: 2
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -123.886116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.886116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.886116 (E_RNA)
where:
Base-Base interactions energy: -73.662
where: short stacking energy: -34.184
Base-Backbone interact. energy: -0.178
local terms energy: -50.047085
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -6.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -73.955089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.955089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.955089 (E_RNA)
where:
Base-Base interactions energy: -29.280
where: short stacking energy: -24.790
Base-Backbone interact. energy: 0.828
local terms energy: -45.502368
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -9.663
flat angles P-C4'-P energy: -5.661
tors. eta vs tors. theta energy: -1.648
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: 1
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -227.383832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.383832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.383832 (E_RNA)
where:
Base-Base interactions energy: -142.877
where: short stacking energy: -65.859
Base-Backbone interact. energy: -2.286
local terms energy: -82.221677
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -18.466
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -19.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -202.706644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.706644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.706644 (E_RNA)
where:
Base-Base interactions energy: -130.009
where: short stacking energy: -61.800
Base-Backbone interact. energy: -0.043
local terms energy: -72.655289
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -14.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -164.154260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.154260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.154260 (E_RNA)
where:
Base-Base interactions energy: -107.990
where: short stacking energy: -53.093
Base-Backbone interact. energy: -0.399
local terms energy: -55.765069
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -6.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -168.816655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.816655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.816655 (E_RNA)
where:
Base-Base interactions energy: -97.886
where: short stacking energy: -54.519
Base-Backbone interact. energy: -0.019
local terms energy: -70.912032
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -15.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -169.634045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.634045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.634045 (E_RNA)
where:
Base-Base interactions energy: -104.362
where: short stacking energy: -53.906
Base-Backbone interact. energy: -0.185
local terms energy: -65.087106
where:
bonds (distance) C4'-P energy: -9.002
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -14.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -87.381614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.381614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.381614 (E_RNA)
where:
Base-Base interactions energy: -39.411
where: short stacking energy: -23.422
Base-Backbone interact. energy: -0.217
local terms energy: -47.754029
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -10.216
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -9.196
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: 7, replica: 10
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -140.854507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.854507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.854507 (E_RNA)
where:
Base-Base interactions energy: -84.684
where: short stacking energy: -39.672
Base-Backbone interact. energy: 0.650
local terms energy: -56.820236
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -8.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -78.166832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.166832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.166832 (E_RNA)
where:
Base-Base interactions energy: -21.676
where: short stacking energy: -21.034
Base-Backbone interact. energy: -0.084
local terms energy: -56.407110
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -8.598
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: 8
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -82.246740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.246740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.246740 (E_RNA)
where:
Base-Base interactions energy: -32.306
where: short stacking energy: -32.306
Base-Backbone interact. energy: -0.142
local terms energy: -49.798728
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -1.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -83.966121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.966121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.966121 (E_RNA)
where:
Base-Base interactions energy: -30.519
where: short stacking energy: -25.384
Base-Backbone interact. energy: -0.060
local terms energy: -53.386353
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -2.150
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: 1, replica: 1
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -223.465875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.465875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.465875 (E_RNA)
where:
Base-Base interactions energy: -144.655
where: short stacking energy: -72.293
Base-Backbone interact. energy: -0.040
local terms energy: -78.770360
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -19.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -207.075693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.075693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.075693 (E_RNA)
where:
Base-Base interactions energy: -133.706
where: short stacking energy: -64.071
Base-Backbone interact. energy: -0.158
local terms energy: -73.211340
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -15.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -191.758704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.758704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.758704 (E_RNA)
where:
Base-Base interactions energy: -122.031
where: short stacking energy: -64.534
Base-Backbone interact. energy: -0.003
local terms energy: -69.724503
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -21.047
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: 5
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -184.894107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.894107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.894107 (E_RNA)
where:
Base-Base interactions energy: -122.402
where: short stacking energy: -52.781
Base-Backbone interact. energy: -0.063
local terms energy: -62.428463
where:
bonds (distance) C4'-P energy: -10.061
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -8.914
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: 4
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -155.852746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.852746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.852746 (E_RNA)
where:
Base-Base interactions energy: -94.149
where: short stacking energy: -48.966
Base-Backbone interact. energy: 0.395
local terms energy: -62.098793
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -11.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -139.443166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.443166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.443166 (E_RNA)
where:
Base-Base interactions energy: -86.096
where: short stacking energy: -33.559
Base-Backbone interact. energy: 0.518
local terms energy: -53.865554
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -12.766
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: 7, replica: 9
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -87.882368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.882368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.882368 (E_RNA)
where:
Base-Base interactions energy: -40.381
where: short stacking energy: -18.549
Base-Backbone interact. energy: 3.171
local terms energy: -50.671653
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -10.334
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -7.343
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: 345
Temperature: 1.250000
Total energy: -90.872423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.872423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.872423 (E_RNA)
where:
Base-Base interactions energy: -33.353
where: short stacking energy: -33.353
Base-Backbone interact. energy: -0.213
local terms energy: -57.305961
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -3.284
tors. eta vs tors. theta energy: -8.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -78.920924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.920924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.920924 (E_RNA)
where:
Base-Base interactions energy: -28.281
where: short stacking energy: -28.281
Base-Backbone interact. energy: -0.064
local terms energy: -50.576277
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -10.124
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: 10, replica: 2
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -77.886198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.886198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.886198 (E_RNA)
where:
Base-Base interactions energy: -34.232
where: short stacking energy: -19.146
Base-Backbone interact. energy: -0.134
local terms energy: -43.520765
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -9.943
flat angles P-C4'-P energy: -5.617
tors. eta vs tors. theta energy: 0.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -217.769154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.769154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.769154 (E_RNA)
where:
Base-Base interactions energy: -138.045
where: short stacking energy: -67.716
Base-Backbone interact. energy: -0.005
local terms energy: -79.719218
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -21.560
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: 1
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -222.162041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.162041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.162041 (E_RNA)
where:
Base-Base interactions energy: -147.822
where: short stacking energy: -67.870
Base-Backbone interact. energy: -0.191
local terms energy: -74.148861
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -21.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -191.215986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.215986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.215986 (E_RNA)
where:
Base-Base interactions energy: -135.166
where: short stacking energy: -52.370
Base-Backbone interact. energy: -0.145
local terms energy: -55.905008
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -7.958
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -15.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -181.405772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.405772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.405772 (E_RNA)
where:
Base-Base interactions energy: -107.502
where: short stacking energy: -51.599
Base-Backbone interact. energy: -0.001
local terms energy: -73.903067
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -13.836
tors. eta vs tors. theta energy: -15.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -166.657286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.657286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.657286 (E_RNA)
where:
Base-Base interactions energy: -97.873
where: short stacking energy: -56.147
Base-Backbone interact. energy: -0.012
local terms energy: -68.772437
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -11.819
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -15.601
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: 6, replica: 10
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -152.339994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.339994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.339994 (E_RNA)
where:
Base-Base interactions energy: -92.686
where: short stacking energy: -46.092
Base-Backbone interact. energy: -0.100
local terms energy: -59.553601
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -10.422
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -8.241
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: 7, replica: 8
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -138.486204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.486204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.486204 (E_RNA)
where:
Base-Base interactions energy: -81.551
where: short stacking energy: -50.220
Base-Backbone interact. energy: -0.083
local terms energy: -56.852264
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -7.614
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -12.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -88.613672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.613672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.613672 (E_RNA)
where:
Base-Base interactions energy: -40.624
where: short stacking energy: -37.833
Base-Backbone interact. energy: -0.005
local terms energy: -47.984082
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -10.536
flat angles C4'-P-C4' energy: -9.941
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -7.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -79.033444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.033444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.033444 (E_RNA)
where:
Base-Base interactions energy: -36.611
where: short stacking energy: -29.795
Base-Backbone interact. energy: -0.737
local terms energy: -41.685356
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -10.061
flat angles P-C4'-P energy: -3.220
tors. eta vs tors. theta energy: -0.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -77.430953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.430953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.430953 (E_RNA)
where:
Base-Base interactions energy: -33.153
where: short stacking energy: -23.780
Base-Backbone interact. energy: 0.139
local terms energy: -44.416742
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -7.670
flat angles P-C4'-P energy: -9.906
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: 7
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -215.847870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.847870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.847870 (E_RNA)
where:
Base-Base interactions energy: -137.191
where: short stacking energy: -68.120
Base-Backbone interact. energy: -0.042
local terms energy: -78.614963
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -18.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -220.176110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.176110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.176110 (E_RNA)
where:
Base-Base interactions energy: -146.863
where: short stacking energy: -55.064
Base-Backbone interact. energy: -0.379
local terms energy: -72.933436
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -7.955
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: 3, replica: 1
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -215.575386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.575386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.575386 (E_RNA)
where:
Base-Base interactions energy: -137.262
where: short stacking energy: -65.182
Base-Backbone interact. energy: -0.793
local terms energy: -77.520415
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -18.440
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -19.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -157.886709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.886709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.886709 (E_RNA)
where:
Base-Base interactions energy: -98.115
where: short stacking energy: -46.361
Base-Backbone interact. energy: -0.040
local terms energy: -59.731916
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -9.401
flat angles P-C4'-P energy: -11.490
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: 5, replica: 3
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -166.991535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.991535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.991535 (E_RNA)
where:
Base-Base interactions energy: -90.106
where: short stacking energy: -51.599
Base-Backbone interact. energy: -0.290
local terms energy: -76.595183
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -18.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -148.501718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.501718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.501718 (E_RNA)
where:
Base-Base interactions energy: -96.753
where: short stacking energy: -46.743
Base-Backbone interact. energy: -0.019
local terms energy: -51.730476
where:
bonds (distance) C4'-P energy: -9.583
bonds (distance) P-C4' energy: -8.743
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -8.653
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: 7, replica: 10
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -124.990322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.990322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.990322 (E_RNA)
where:
Base-Base interactions energy: -68.795
where: short stacking energy: -38.367
Base-Backbone interact. energy: -0.610
local terms energy: -55.585308
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -11.484
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -7.230
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: 9
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -88.207594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.207594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.207594 (E_RNA)
where:
Base-Base interactions energy: -41.752
where: short stacking energy: -32.494
Base-Backbone interact. energy: -0.690
local terms energy: -45.766078
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -2.442
tors. eta vs tors. theta energy: -1.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -81.516297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.516297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.516297 (E_RNA)
where:
Base-Base interactions energy: -30.283
where: short stacking energy: -27.767
Base-Backbone interact. energy: -0.186
local terms energy: -51.047562
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -10.065
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: 6
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -87.842698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.842698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.842698 (E_RNA)
where:
Base-Base interactions energy: -35.677
where: short stacking energy: -32.401
Base-Backbone interact. energy: -0.002
local terms energy: -52.163346
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -6.354
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: 1, replica: 5
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -225.614436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.614436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.614436 (E_RNA)
where:
Base-Base interactions energy: -145.038
where: short stacking energy: -63.222
Base-Backbone interact. energy: -0.026
local terms energy: -80.549939
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -21.976
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: 2, replica: 7
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -212.642654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.642654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.642654 (E_RNA)
where:
Base-Base interactions energy: -135.796
where: short stacking energy: -65.711
Base-Backbone interact. energy: -0.009
local terms energy: -76.837910
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -12.860
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: 3, replica: 1
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -214.942561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.942561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.942561 (E_RNA)
where:
Base-Base interactions energy: -143.369
where: short stacking energy: -72.584
Base-Backbone interact. energy: -0.037
local terms energy: -71.537125
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -17.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -168.638258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.638258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.638258 (E_RNA)
where:
Base-Base interactions energy: -97.819
where: short stacking energy: -57.112
Base-Backbone interact. energy: -0.394
local terms energy: -70.425340
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -20.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -152.252621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.252621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.252621 (E_RNA)
where:
Base-Base interactions energy: -109.458
where: short stacking energy: -41.446
Base-Backbone interact. energy: -0.966
local terms energy: -41.827845
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -5.104
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: 6, replica: 8
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -102.159797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.159797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.159797 (E_RNA)
where:
Base-Base interactions energy: -50.292
where: short stacking energy: -32.420
Base-Backbone interact. energy: -0.482
local terms energy: -51.385824
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -8.579
flat angles P-C4'-P energy: -10.817
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: 7, replica: 9
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -104.160281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.160281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.160281 (E_RNA)
where:
Base-Base interactions energy: -37.014
where: short stacking energy: -37.014
Base-Backbone interact. energy: -0.362
local terms energy: -66.784095
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -7.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -128.930679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.930679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.930679 (E_RNA)
where:
Base-Base interactions energy: -77.605
where: short stacking energy: -44.801
Base-Backbone interact. energy: -0.074
local terms energy: -51.251636
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -5.388
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: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -82.131262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.131262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.131262 (E_RNA)
where:
Base-Base interactions energy: -28.308
where: short stacking energy: -26.518
Base-Backbone interact. energy: -0.098
local terms energy: -53.724635
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: -3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -80.698084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.698084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.698084 (E_RNA)
where:
Base-Base interactions energy: -32.276
where: short stacking energy: -14.798
Base-Backbone interact. energy: -0.595
local terms energy: -47.827735
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -8.287
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: 1, replica: 5
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -225.445341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.445341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.445341 (E_RNA)
where:
Base-Base interactions energy: -150.755
where: short stacking energy: -60.373
Base-Backbone interact. energy: -0.621
local terms energy: -74.068998
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -9.449
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: 2, replica: 1
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -211.651626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.651626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.651626 (E_RNA)
where:
Base-Base interactions energy: -142.705
where: short stacking energy: -60.192
Base-Backbone interact. energy: -0.092
local terms energy: -68.853902
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -9.843
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -15.586
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: 7
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -199.285097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.285097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.285097 (E_RNA)
where:
Base-Base interactions energy: -125.124
where: short stacking energy: -57.958
Base-Backbone interact. energy: -0.011
local terms energy: -74.149974
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -12.229
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -18.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -164.838353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.838353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.838353 (E_RNA)
where:
Base-Base interactions energy: -105.528
where: short stacking energy: -46.011
Base-Backbone interact. energy: -0.355
local terms energy: -58.955093
where:
bonds (distance) C4'-P energy: -14.373
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -9.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -164.376693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.376693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.376693 (E_RNA)
where:
Base-Base interactions energy: -105.443
where: short stacking energy: -51.891
Base-Backbone interact. energy: -0.272
local terms energy: -58.661581
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -11.037
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -12.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -100.364333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.364333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.364333 (E_RNA)
where:
Base-Base interactions energy: -38.571
where: short stacking energy: -38.571
Base-Backbone interact. energy: -0.024
local terms energy: -61.769564
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -11.484
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -7.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -105.969033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.969033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.969033 (E_RNA)
where:
Base-Base interactions energy: -49.172
where: short stacking energy: -38.720
Base-Backbone interact. energy: -0.057
local terms energy: -56.739659
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -3.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -123.701540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.701540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.701540 (E_RNA)
where:
Base-Base interactions energy: -72.208
where: short stacking energy: -33.983
Base-Backbone interact. energy: -0.720
local terms energy: -50.773333
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -7.697
flat angles P-C4'-P energy: -6.627
tors. eta vs tors. theta energy: -7.832
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: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -82.295776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.295776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.295776 (E_RNA)
where:
Base-Base interactions energy: -29.332
where: short stacking energy: -28.622
Base-Backbone interact. energy: -0.084
local terms energy: -52.880551
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -10.412
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -4.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -71.784817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.784817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.784817 (E_RNA)
where:
Base-Base interactions energy: -22.951
where: short stacking energy: -22.951
Base-Backbone interact. energy: 3.107
local terms energy: -51.940248
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -5.011
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: 1, replica: 5
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -225.851148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.851148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.851148 (E_RNA)
where:
Base-Base interactions energy: -151.135
where: short stacking energy: -60.471
Base-Backbone interact. energy: -0.319
local terms energy: -74.397124
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -17.919
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -18.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -205.689802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.689802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.689802 (E_RNA)
where:
Base-Base interactions energy: -136.048
where: short stacking energy: -60.822
Base-Backbone interact. energy: -0.090
local terms energy: -69.552005
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -6.962
tors. eta vs tors. theta energy: -16.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -144.795597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.795597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.795597 (E_RNA)
where:
Base-Base interactions energy: -88.488
where: short stacking energy: -39.750
Base-Backbone interact. energy: -0.303
local terms energy: -56.004761
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -3.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -205.332110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.332110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.332110 (E_RNA)
where:
Base-Base interactions energy: -135.139
where: short stacking energy: -64.444
Base-Backbone interact. energy: -0.039
local terms energy: -70.153463
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -15.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -168.947571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.947571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.947571 (E_RNA)
where:
Base-Base interactions energy: -103.642
where: short stacking energy: -55.251
Base-Backbone interact. energy: -0.051
local terms energy: -65.254654
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -17.983
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -12.135
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: 9
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -103.347141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.347141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.347141 (E_RNA)
where:
Base-Base interactions energy: -44.919
where: short stacking energy: -44.919
Base-Backbone interact. energy: -0.012
local terms energy: -58.416013
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -5.588
tors. eta vs tors. theta energy: -9.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -94.661217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.661217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.661217 (E_RNA)
where:
Base-Base interactions energy: -34.557
where: short stacking energy: -34.557
Base-Backbone interact. energy: 0.172
local terms energy: -60.275591
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -10.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -94.076620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.076620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.076620 (E_RNA)
where:
Base-Base interactions energy: -39.533
where: short stacking energy: -28.696
Base-Backbone interact. energy: -0.220
local terms energy: -54.324244
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -5.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -80.473232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.473232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.473232 (E_RNA)
where:
Base-Base interactions energy: -34.694
where: short stacking energy: -29.898
Base-Backbone interact. energy: -0.410
local terms energy: -45.369112
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -10.589
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: 0.637
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: 350
Temperature: 1.350000
Total energy: -85.396490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.396490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.396490 (E_RNA)
where:
Base-Base interactions energy: -37.290
where: short stacking energy: -27.941
Base-Backbone interact. energy: -0.242
local terms energy: -47.864738
where:
bonds (distance) C4'-P energy: -7.370
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -3.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -223.099739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.099739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.099739 (E_RNA)
where:
Base-Base interactions energy: -151.451
where: short stacking energy: -57.294
Base-Backbone interact. energy: 0.376
local terms energy: -72.024284
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -12.661
tors. eta vs tors. theta energy: -15.291
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: 1
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -198.783704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.783704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.783704 (E_RNA)
where:
Base-Base interactions energy: -134.167
where: short stacking energy: -41.748
Base-Backbone interact. energy: -0.909
local terms energy: -63.706975
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -8.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -146.411807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.411807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.411807 (E_RNA)
where:
Base-Base interactions energy: -82.424
where: short stacking energy: -44.557
Base-Backbone interact. energy: 0.262
local terms energy: -64.250102
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -8.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -218.684064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.684064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.684064 (E_RNA)
where:
Base-Base interactions energy: -141.650
where: short stacking energy: -63.778
Base-Backbone interact. energy: -0.333
local terms energy: -76.701981
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -20.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -130.660604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.660604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.660604 (E_RNA)
where:
Base-Base interactions energy: -83.582
where: short stacking energy: -39.267
Base-Backbone interact. energy: -0.161
local terms energy: -46.917454
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -8.227
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -4.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -125.742179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.742179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.742179 (E_RNA)
where:
Base-Base interactions energy: -73.184
where: short stacking energy: -34.029
Base-Backbone interact. energy: -0.314
local terms energy: -52.243887
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -2.632
tors. eta vs tors. theta energy: -7.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -90.376509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.376509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.376509 (E_RNA)
where:
Base-Base interactions energy: -42.613
where: short stacking energy: -40.270
Base-Backbone interact. energy: -0.211
local terms energy: -47.552362
where:
bonds (distance) C4'-P energy: -7.724
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -8.614
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -7.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -93.506184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.506184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.506184 (E_RNA)
where:
Base-Base interactions energy: -41.477
where: short stacking energy: -41.477
Base-Backbone interact. energy: -0.066
local terms energy: -51.963099
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -10.027
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -6.982
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: 351
Temperature: 1.300000
Total energy: -82.397278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.397278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.397278 (E_RNA)
where:
Base-Base interactions energy: -32.844
where: short stacking energy: -24.072
Base-Backbone interact. energy: -0.610
local terms energy: -48.942849
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -9.942
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -3.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -73.530156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.530156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.530156 (E_RNA)
where:
Base-Base interactions energy: -21.708
where: short stacking energy: -13.729
Base-Backbone interact. energy: -0.402
local terms energy: -51.420716
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: 2.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -226.662743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.662743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.662743 (E_RNA)
where:
Base-Base interactions energy: -151.445
where: short stacking energy: -68.786
Base-Backbone interact. energy: -0.093
local terms energy: -75.125277
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -16.863
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: 1
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -208.337432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.337432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.337432 (E_RNA)
where:
Base-Base interactions energy: -140.840
where: short stacking energy: -63.480
Base-Backbone interact. energy: -0.476
local terms energy: -67.021807
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -16.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -206.626640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.626640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.626640 (E_RNA)
where:
Base-Base interactions energy: -132.895
where: short stacking energy: -56.553
Base-Backbone interact. energy: -0.031
local terms energy: -73.700826
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -20.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -152.933012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.933012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.933012 (E_RNA)
where:
Base-Base interactions energy: -85.835
where: short stacking energy: -53.799
Base-Backbone interact. energy: -0.522
local terms energy: -66.575875
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -12.288
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: 5, replica: 10
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -129.134374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.134374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.134374 (E_RNA)
where:
Base-Base interactions energy: -70.925
where: short stacking energy: -43.547
Base-Backbone interact. energy: -1.356
local terms energy: -56.852974
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -6.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -128.226739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.226739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.226739 (E_RNA)
where:
Base-Base interactions energy: -70.159
where: short stacking energy: -37.879
Base-Backbone interact. energy: -0.067
local terms energy: -58.000737
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -5.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -89.406164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.406164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.406164 (E_RNA)
where:
Base-Base interactions energy: -34.066
where: short stacking energy: -34.066
Base-Backbone interact. energy: -0.013
local terms energy: -55.327230
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -9.159
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: 8, replica: 2
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -83.005964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.005964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.005964 (E_RNA)
where:
Base-Base interactions energy: -37.671
where: short stacking energy: -31.557
Base-Backbone interact. energy: -0.139
local terms energy: -45.196007
where:
bonds (distance) C4'-P energy: -9.581
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -5.306
tors. eta vs tors. theta energy: -2.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -80.363511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.363511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.363511 (E_RNA)
where:
Base-Base interactions energy: -42.808
where: short stacking energy: -9.578
Base-Backbone interact. energy: -0.174
local terms energy: -37.381509
where:
bonds (distance) C4'-P energy: -8.866
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -6.203
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: 10, replica: 8
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -79.258027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.258027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.258027 (E_RNA)
where:
Base-Base interactions energy: -26.192
where: short stacking energy: -25.045
Base-Backbone interact. energy: -0.252
local terms energy: -52.814391
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: 3.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -231.650856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.650856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.650856 (E_RNA)
where:
Base-Base interactions energy: -158.732
where: short stacking energy: -64.925
Base-Backbone interact. energy: -0.621
local terms energy: -72.297856
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -19.630
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: 7
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -224.447172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.447172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.447172 (E_RNA)
where:
Base-Base interactions energy: -148.480
where: short stacking energy: -68.171
Base-Backbone interact. energy: -0.107
local terms energy: -75.860100
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -20.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -208.719815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.719815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.719815 (E_RNA)
where:
Base-Base interactions energy: -141.986
where: short stacking energy: -63.509
Base-Backbone interact. energy: 0.077
local terms energy: -66.810586
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -6.805
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: 4, replica: 10
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -162.014404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.014404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.014404 (E_RNA)
where:
Base-Base interactions energy: -94.530
where: short stacking energy: -54.814
Base-Backbone interact. energy: 0.073
local terms energy: -67.556465
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -13.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -151.970794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.970794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.970794 (E_RNA)
where:
Base-Base interactions energy: -89.560
where: short stacking energy: -51.864
Base-Backbone interact. energy: -0.083
local terms energy: -62.327774
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -10.916
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -11.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -160.558828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.558828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.558828 (E_RNA)
where:
Base-Base interactions energy: -99.335
where: short stacking energy: -51.651
Base-Backbone interact. energy: -0.027
local terms energy: -61.196792
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -6.369
tors. eta vs tors. theta energy: -14.981
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: 9
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -96.232962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.232962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.232962 (E_RNA)
where:
Base-Base interactions energy: -33.339
where: short stacking energy: -33.339
Base-Backbone interact. energy: -0.054
local terms energy: -62.840014
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -6.229
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: 6
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -95.888741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.888741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.888741 (E_RNA)
where:
Base-Base interactions energy: -48.611
where: short stacking energy: -24.833
Base-Backbone interact. energy: -0.393
local terms energy: -46.885042
where:
bonds (distance) C4'-P energy: -7.038
bonds (distance) P-C4' energy: -10.027
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -2.206
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: 2
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -80.092852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.092852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.092852 (E_RNA)
where:
Base-Base interactions energy: -30.192
where: short stacking energy: -30.192
Base-Backbone interact. energy: -0.235
local terms energy: -49.665229
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -8.948
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -3.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -76.858906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.858906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.858906 (E_RNA)
where:
Base-Base interactions energy: -32.892
where: short stacking energy: -26.775
Base-Backbone interact. energy: -0.370
local terms energy: -43.597008
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -9.667
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: -1.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -224.633499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.633499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.633499 (E_RNA)
where:
Base-Base interactions energy: -148.575
where: short stacking energy: -71.780
Base-Backbone interact. energy: -0.606
local terms energy: -75.452579
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -10.821
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: 5
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -223.924367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.924367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.924367 (E_RNA)
where:
Base-Base interactions energy: -150.806
where: short stacking energy: -62.643
Base-Backbone interact. energy: -0.148
local terms energy: -72.970103
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -11.651
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: 1
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -204.182701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.182701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.182701 (E_RNA)
where:
Base-Base interactions energy: -138.395
where: short stacking energy: -53.010
Base-Backbone interact. energy: -0.911
local terms energy: -64.876888
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -15.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -175.893056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.893056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.893056 (E_RNA)
where:
Base-Base interactions energy: -103.256
where: short stacking energy: -67.236
Base-Backbone interact. energy: -0.461
local terms energy: -72.175963
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -19.156
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: 354
Temperature: 1.100000
Total energy: -170.303414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.303414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.303414 (E_RNA)
where:
Base-Base interactions energy: -100.712
where: short stacking energy: -52.364
Base-Backbone interact. energy: -0.140
local terms energy: -69.451782
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -15.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -135.386712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.386712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.386712 (E_RNA)
where:
Base-Base interactions energy: -80.395
where: short stacking energy: -42.721
Base-Backbone interact. energy: -0.137
local terms energy: -54.854760
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -7.241
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -10.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -97.242511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.242511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.242511 (E_RNA)
where:
Base-Base interactions energy: -34.216
where: short stacking energy: -34.216
Base-Backbone interact. energy: -0.753
local terms energy: -62.272875
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -8.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -83.702221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.702221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.702221 (E_RNA)
where:
Base-Base interactions energy: -40.860
where: short stacking energy: -22.862
Base-Backbone interact. energy: -0.897
local terms energy: -41.944822
where:
bonds (distance) C4'-P energy: -10.938
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -7.713
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -2.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -77.931618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.931618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.931618 (E_RNA)
where:
Base-Base interactions energy: -28.295
where: short stacking energy: -19.294
Base-Backbone interact. energy: -0.234
local terms energy: -49.401703
where:
bonds (distance) C4'-P energy: -7.790
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -13.890
tors. eta vs tors. theta energy: 0.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -67.862125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.862125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.862125 (E_RNA)
where:
Base-Base interactions energy: -20.148
where: short stacking energy: -11.186
Base-Backbone interact. energy: -0.571
local terms energy: -47.143207
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: 3.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -224.433331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.433331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.433331 (E_RNA)
where:
Base-Base interactions energy: -144.070
where: short stacking energy: -62.580
Base-Backbone interact. energy: -0.014
local terms energy: -80.349532
where:
bonds (distance) C4'-P energy: -16.631
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -18.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -221.179188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.179188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.179188 (E_RNA)
where:
Base-Base interactions energy: -145.702
where: short stacking energy: -68.113
Base-Backbone interact. energy: -0.313
local terms energy: -75.163927
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -22.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -211.651989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.651989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.651989 (E_RNA)
where:
Base-Base interactions energy: -138.662
where: short stacking energy: -64.432
Base-Backbone interact. energy: -0.098
local terms energy: -72.892124
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -7.221
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: 4, replica: 4
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -171.294193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.294193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.294193 (E_RNA)
where:
Base-Base interactions energy: -101.874
where: short stacking energy: -47.869
Base-Backbone interact. energy: 0.679
local terms energy: -70.099446
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -16.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -169.210165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.210165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.210165 (E_RNA)
where:
Base-Base interactions energy: -103.671
where: short stacking energy: -51.534
Base-Backbone interact. energy: -0.085
local terms energy: -65.453696
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -10.214
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: 9
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -107.200777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.200777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.200777 (E_RNA)
where:
Base-Base interactions energy: -46.752
where: short stacking energy: -46.261
Base-Backbone interact. energy: -0.482
local terms energy: -59.966197
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -7.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -131.040732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.040732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.040732 (E_RNA)
where:
Base-Base interactions energy: -73.604
where: short stacking energy: -28.753
Base-Backbone interact. energy: -0.985
local terms energy: -56.452059
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -5.649
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: 2
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -107.162384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.162384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.162384 (E_RNA)
where:
Base-Base interactions energy: -48.037
where: short stacking energy: -28.353
Base-Backbone interact. energy: -0.081
local terms energy: -59.044506
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -7.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -93.031848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.031848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.031848 (E_RNA)
where:
Base-Base interactions energy: -44.945
where: short stacking energy: -27.580
Base-Backbone interact. energy: -0.020
local terms energy: -48.067455
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -9.913
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: 0.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -92.619891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.619891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.619891 (E_RNA)
where:
Base-Base interactions energy: -35.218
where: short stacking energy: -31.994
Base-Backbone interact. energy: -0.221
local terms energy: -57.181726
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -5.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -222.253661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.253661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.253661 (E_RNA)
where:
Base-Base interactions energy: -142.708
where: short stacking energy: -66.483
Base-Backbone interact. energy: -0.566
local terms energy: -78.979239
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -22.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -219.107767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.107767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.107767 (E_RNA)
where:
Base-Base interactions energy: -144.600
where: short stacking energy: -63.733
Base-Backbone interact. energy: -0.018
local terms energy: -74.490143
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -18.598
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: 3, replica: 1
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -218.104404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.104404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.104404 (E_RNA)
where:
Base-Base interactions energy: -145.239
where: short stacking energy: -71.931
Base-Backbone interact. energy: -0.219
local terms energy: -72.646694
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -10.282
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -20.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -176.404069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.404069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.404069 (E_RNA)
where:
Base-Base interactions energy: -116.496
where: short stacking energy: -47.430
Base-Backbone interact. energy: -0.209
local terms energy: -59.699793
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: -9.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -175.375647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.375647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.375647 (E_RNA)
where:
Base-Base interactions energy: -105.932
where: short stacking energy: -53.743
Base-Backbone interact. energy: 0.422
local terms energy: -69.866441
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -15.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -104.709376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.709376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.709376 (E_RNA)
where:
Base-Base interactions energy: -48.965
where: short stacking energy: -35.508
Base-Backbone interact. energy: -1.146
local terms energy: -54.598519
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -10.309
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -5.314
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: 2
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -92.293779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.293779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.293779 (E_RNA)
where:
Base-Base interactions energy: -44.375
where: short stacking energy: -26.919
Base-Backbone interact. energy: -0.113
local terms energy: -47.805914
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -1.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -125.488190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.488190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.488190 (E_RNA)
where:
Base-Base interactions energy: -70.598
where: short stacking energy: -36.013
Base-Backbone interact. energy: -1.115
local terms energy: -53.775386
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -7.794
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: 9, replica: 8
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -84.893722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.893722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.893722 (E_RNA)
where:
Base-Base interactions energy: -42.053
where: short stacking energy: -14.666
Base-Backbone interact. energy: -0.203
local terms energy: -42.636940
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -8.317
flat angles P-C4'-P energy: -7.727
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: 356
Temperature: 1.350000
Total energy: -82.415565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.415565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.415565 (E_RNA)
where:
Base-Base interactions energy: -35.119
where: short stacking energy: -34.672
Base-Backbone interact. energy: -0.148
local terms energy: -47.148265
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -7.595
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -4.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -229.422634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.422634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.422634 (E_RNA)
where:
Base-Base interactions energy: -144.396
where: short stacking energy: -68.983
Base-Backbone interact. energy: -1.156
local terms energy: -83.870785
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -23.545
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: 7
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -221.269596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.269596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.269596 (E_RNA)
where:
Base-Base interactions energy: -144.500
where: short stacking energy: -60.832
Base-Backbone interact. energy: -0.115
local terms energy: -76.654930
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -18.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -205.140676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.140676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.140676 (E_RNA)
where:
Base-Base interactions energy: -127.441
where: short stacking energy: -61.949
Base-Backbone interact. energy: -0.231
local terms energy: -77.468486
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -19.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -158.525613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.525613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.525613 (E_RNA)
where:
Base-Base interactions energy: -94.621
where: short stacking energy: -46.769
Base-Backbone interact. energy: -0.180
local terms energy: -63.724959
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -11.940
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: 5, replica: 4
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -161.219408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.219408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.219408 (E_RNA)
where:
Base-Base interactions energy: -104.701
where: short stacking energy: -46.899
Base-Backbone interact. energy: -0.033
local terms energy: -56.485781
where:
bonds (distance) C4'-P energy: -6.991
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -10.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -103.737589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.737589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.737589 (E_RNA)
where:
Base-Base interactions energy: -35.900
where: short stacking energy: -35.414
Base-Backbone interact. energy: -0.138
local terms energy: -67.699235
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -10.384
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: 2
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -93.003373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.003373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.003373 (E_RNA)
where:
Base-Base interactions energy: -38.713
where: short stacking energy: -36.346
Base-Backbone interact. energy: -0.234
local terms energy: -54.056842
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -11.872
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -5.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -132.576743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.576743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.576743 (E_RNA)
where:
Base-Base interactions energy: -75.028
where: short stacking energy: -30.053
Base-Backbone interact. energy: -0.943
local terms energy: -56.605850
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -8.955
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -7.097
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: 9, replica: 8
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -85.343439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.343439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.343439 (E_RNA)
where:
Base-Base interactions energy: -40.614
where: short stacking energy: -24.661
Base-Backbone interact. energy: -1.344
local terms energy: -43.385196
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -9.334
flat angles P-C4'-P energy: -4.589
tors. eta vs tors. theta energy: -2.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -87.178567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.178567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.178567 (E_RNA)
where:
Base-Base interactions energy: -42.072
where: short stacking energy: -40.574
Base-Backbone interact. energy: 0.398
local terms energy: -45.503882
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -3.010
tors. eta vs tors. theta energy: -5.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -216.851815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.851815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.851815 (E_RNA)
where:
Base-Base interactions energy: -137.717
where: short stacking energy: -69.474
Base-Backbone interact. energy: -0.030
local terms energy: -79.104818
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -19.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -227.051809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.051809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.051809 (E_RNA)
where:
Base-Base interactions energy: -152.627
where: short stacking energy: -69.160
Base-Backbone interact. energy: -0.001
local terms energy: -74.423544
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -18.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -207.256287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.256287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.256287 (E_RNA)
where:
Base-Base interactions energy: -140.567
where: short stacking energy: -69.124
Base-Backbone interact. energy: -0.039
local terms energy: -66.650008
where:
bonds (distance) C4'-P energy: -12.023
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -5.967
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: 4, replica: 10
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -180.954146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.954146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.954146 (E_RNA)
where:
Base-Base interactions energy: -110.236
where: short stacking energy: -57.111
Base-Backbone interact. energy: -0.174
local terms energy: -70.544209
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -17.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -158.443814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.443814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.443814 (E_RNA)
where:
Base-Base interactions energy: -94.247
where: short stacking energy: -47.793
Base-Backbone interact. energy: -0.206
local terms energy: -63.990907
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -10.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -103.703102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.703102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.703102 (E_RNA)
where:
Base-Base interactions energy: -45.806
where: short stacking energy: -43.871
Base-Backbone interact. energy: -0.326
local terms energy: -57.570770
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -7.367
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -14.905
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: 7, replica: 3
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -147.799027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.799027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.799027 (E_RNA)
where:
Base-Base interactions energy: -82.973
where: short stacking energy: -41.131
Base-Backbone interact. energy: -0.418
local terms energy: -64.408357
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -17.889
flat angles P-C4'-P energy: -10.075
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: 8, replica: 2
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -94.121812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.121812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.121812 (E_RNA)
where:
Base-Base interactions energy: -33.669
where: short stacking energy: -33.301
Base-Backbone interact. energy: -0.225
local terms energy: -60.227748
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -4.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -88.818987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.818987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.818987 (E_RNA)
where:
Base-Base interactions energy: -40.417
where: short stacking energy: -29.723
Base-Backbone interact. energy: -0.244
local terms energy: -48.158747
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -9.945
flat angles P-C4'-P energy: -7.457
tors. eta vs tors. theta energy: -3.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -75.733188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.733188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.733188 (E_RNA)
where:
Base-Base interactions energy: -28.362
where: short stacking energy: -24.569
Base-Backbone interact. energy: -0.185
local terms energy: -47.185909
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -6.362
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: 7
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -224.003726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.003726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.003726 (E_RNA)
where:
Base-Base interactions energy: -145.076
where: short stacking energy: -72.016
Base-Backbone interact. energy: -0.067
local terms energy: -78.860659
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -22.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -224.938432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.938432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.938432 (E_RNA)
where:
Base-Base interactions energy: -145.809
where: short stacking energy: -67.377
Base-Backbone interact. energy: -0.024
local terms energy: -79.106001
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -18.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -211.143967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.143967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.143967 (E_RNA)
where:
Base-Base interactions energy: -136.652
where: short stacking energy: -63.610
Base-Backbone interact. energy: -1.148
local terms energy: -73.343694
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -16.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -176.531639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.531639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.531639 (E_RNA)
where:
Base-Base interactions energy: -108.842
where: short stacking energy: -54.788
Base-Backbone interact. energy: -0.316
local terms energy: -67.373516
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -14.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -163.693818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.693818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.693818 (E_RNA)
where:
Base-Base interactions energy: -94.242
where: short stacking energy: -54.418
Base-Backbone interact. energy: -0.483
local terms energy: -68.968071
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -14.351
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -11.062
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: 6, replica: 3
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -117.090355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.090355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.090355 (E_RNA)
where:
Base-Base interactions energy: -68.783
where: short stacking energy: -37.799
Base-Backbone interact. energy: -1.361
local terms energy: -46.946647
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -15.447
flat angles C4'-P-C4' energy: -6.006
flat angles P-C4'-P energy: -8.327
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: 7, replica: 9
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -86.636482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.636482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.636482 (E_RNA)
where:
Base-Base interactions energy: -29.052
where: short stacking energy: -29.052
Base-Backbone interact. energy: -0.165
local terms energy: -57.419847
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -11.370
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -2.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -90.494166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.494166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.494166 (E_RNA)
where:
Base-Base interactions energy: -30.535
where: short stacking energy: -30.491
Base-Backbone interact. energy: -0.159
local terms energy: -59.800098
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -6.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -91.828409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.828409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.828409 (E_RNA)
where:
Base-Base interactions energy: -36.401
where: short stacking energy: -28.673
Base-Backbone interact. energy: -0.160
local terms energy: -55.267264
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -8.719
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: 6
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -81.886293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.886293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.886293 (E_RNA)
where:
Base-Base interactions energy: -27.780
where: short stacking energy: -17.774
Base-Backbone interact. energy: 0.238
local terms energy: -54.344095
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -2.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -229.172222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.172222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.172222 (E_RNA)
where:
Base-Base interactions energy: -148.336
where: short stacking energy: -74.905
Base-Backbone interact. energy: -0.160
local terms energy: -80.675387
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -12.448
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: 2, replica: 7
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -215.870837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.870837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.870837 (E_RNA)
where:
Base-Base interactions energy: -141.291
where: short stacking energy: -72.464
Base-Backbone interact. energy: -0.097
local terms energy: -74.483081
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -9.978
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: 3, replica: 10
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -181.172645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.172645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.172645 (E_RNA)
where:
Base-Base interactions energy: -114.899
where: short stacking energy: -57.532
Base-Backbone interact. energy: -0.464
local terms energy: -65.809583
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -12.351
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -14.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -202.997468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.997468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.997468 (E_RNA)
where:
Base-Base interactions energy: -131.845
where: short stacking energy: -56.895
Base-Backbone interact. energy: -1.080
local terms energy: -70.071796
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -18.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -168.008532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.008532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.008532 (E_RNA)
where:
Base-Base interactions energy: -100.238
where: short stacking energy: -61.482
Base-Backbone interact. energy: -0.017
local terms energy: -67.753916
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -6.628
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: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -135.815212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.815212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.815212 (E_RNA)
where:
Base-Base interactions energy: -73.706
where: short stacking energy: -46.350
Base-Backbone interact. energy: -0.432
local terms energy: -61.677584
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -8.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -95.628323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.628323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.628323 (E_RNA)
where:
Base-Base interactions energy: -34.740
where: short stacking energy: -33.703
Base-Backbone interact. energy: -0.083
local terms energy: -60.805272
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -7.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -99.133437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.133437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.133437 (E_RNA)
where:
Base-Base interactions energy: -43.584
where: short stacking energy: -34.028
Base-Backbone interact. energy: -0.230
local terms energy: -55.320148
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -4.188
tors. eta vs tors. theta energy: -5.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -80.239313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.239313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.239313 (E_RNA)
where:
Base-Base interactions energy: -34.146
where: short stacking energy: -31.271
Base-Backbone interact. energy: -0.007
local terms energy: -46.086469
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -8.665
flat angles P-C4'-P energy: -5.114
tors. eta vs tors. theta energy: -7.344
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: 2
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -78.164503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.164503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.164503 (E_RNA)
where:
Base-Base interactions energy: -40.511
where: short stacking energy: -25.592
Base-Backbone interact. energy: -0.397
local terms energy: -37.256027
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -11.759
flat angles C4'-P-C4' energy: -11.001
flat angles P-C4'-P energy: -3.729
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: 5
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -223.536878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.536878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.536878 (E_RNA)
where:
Base-Base interactions energy: -141.632
where: short stacking energy: -66.371
Base-Backbone interact. energy: -1.599
local terms energy: -80.306201
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -13.898
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: 7
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -222.644537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.644537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.644537 (E_RNA)
where:
Base-Base interactions energy: -148.696
where: short stacking energy: -72.005
Base-Backbone interact. energy: -0.486
local terms energy: -73.462957
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -21.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -187.079869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.079869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.079869 (E_RNA)
where:
Base-Base interactions energy: -113.239
where: short stacking energy: -62.010
Base-Backbone interact. energy: -0.000
local terms energy: -73.840066
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -16.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -206.244419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.244419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.244419 (E_RNA)
where:
Base-Base interactions energy: -140.429
where: short stacking energy: -60.673
Base-Backbone interact. energy: -0.476
local terms energy: -65.340178
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -11.115
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -21.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -164.100980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.100980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.100980 (E_RNA)
where:
Base-Base interactions energy: -106.306
where: short stacking energy: -51.767
Base-Backbone interact. energy: -0.021
local terms energy: -57.773534
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -4.127
tors. eta vs tors. theta energy: -12.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -136.660703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.660703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.660703 (E_RNA)
where:
Base-Base interactions energy: -75.344
where: short stacking energy: -53.901
Base-Backbone interact. energy: -0.099
local terms energy: -61.217796
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -10.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -91.692095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.692095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.692095 (E_RNA)
where:
Base-Base interactions energy: -46.893
where: short stacking energy: -25.766
Base-Backbone interact. energy: -0.013
local terms energy: -44.786606
where:
bonds (distance) C4'-P energy: -7.984
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -10.102
flat angles P-C4'-P energy: -5.192
tors. eta vs tors. theta energy: -8.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -84.905976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.905976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.905976 (E_RNA)
where:
Base-Base interactions energy: -39.170
where: short stacking energy: -35.582
Base-Backbone interact. energy: -0.007
local terms energy: -45.728847
where:
bonds (distance) C4'-P energy: -8.129
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -4.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -82.798283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.798283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.798283 (E_RNA)
where:
Base-Base interactions energy: -32.326
where: short stacking energy: -30.969
Base-Backbone interact. energy: 0.285
local terms energy: -50.757141
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -11.110
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: -4.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -92.527547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.527547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.527547 (E_RNA)
where:
Base-Base interactions energy: -39.840
where: short stacking energy: -20.915
Base-Backbone interact. energy: -0.147
local terms energy: -52.540594
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -0.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -225.381211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.381211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.381211 (E_RNA)
where:
Base-Base interactions energy: -148.288
where: short stacking energy: -74.318
Base-Backbone interact. energy: -0.240
local terms energy: -76.853882
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -22.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -225.800965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.800965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.800965 (E_RNA)
where:
Base-Base interactions energy: -147.141
where: short stacking energy: -68.220
Base-Backbone interact. energy: -0.164
local terms energy: -78.495624
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -11.275
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: 3, replica: 1
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -204.061305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.061305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.061305 (E_RNA)
where:
Base-Base interactions energy: -130.959
where: short stacking energy: -64.174
Base-Backbone interact. energy: -0.011
local terms energy: -73.092002
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -13.149
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -18.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -185.386290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.386290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.386290 (E_RNA)
where:
Base-Base interactions energy: -119.630
where: short stacking energy: -56.313
Base-Backbone interact. energy: 1.011
local terms energy: -66.768155
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -13.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -174.207214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.207214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.207214 (E_RNA)
where:
Base-Base interactions energy: -104.441
where: short stacking energy: -66.203
Base-Backbone interact. energy: -0.050
local terms energy: -69.716250
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -7.211
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: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -132.519803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.519803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.519803 (E_RNA)
where:
Base-Base interactions energy: -68.202
where: short stacking energy: -40.121
Base-Backbone interact. energy: -0.004
local terms energy: -64.314108
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -13.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -94.110795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.110795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.110795 (E_RNA)
where:
Base-Base interactions energy: -35.184
where: short stacking energy: -23.091
Base-Backbone interact. energy: -0.060
local terms energy: -58.866763
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -2.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -89.011513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.011513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.011513 (E_RNA)
where:
Base-Base interactions energy: -34.053
where: short stacking energy: -34.053
Base-Backbone interact. energy: -0.102
local terms energy: -54.856152
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -5.128
tors. eta vs tors. theta energy: -7.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -80.523517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.523517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.523517 (E_RNA)
where:
Base-Base interactions energy: -30.977
where: short stacking energy: -27.522
Base-Backbone interact. energy: -0.189
local terms energy: -49.357435
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -75.838013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.838013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.838013 (E_RNA)
where:
Base-Base interactions energy: -22.741
where: short stacking energy: -19.315
Base-Backbone interact. energy: -0.220
local terms energy: -52.876899
where:
bonds (distance) C4'-P energy: -7.151
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -3.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -225.547083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.547083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.547083 (E_RNA)
where:
Base-Base interactions energy: -141.702
where: short stacking energy: -62.543
Base-Backbone interact. energy: 0.491
local terms energy: -84.336045
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -22.263
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: 2, replica: 7
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -217.563153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.563153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.563153 (E_RNA)
where:
Base-Base interactions energy: -149.463
where: short stacking energy: -62.286
Base-Backbone interact. energy: -2.224
local terms energy: -65.875803
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -11.713
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -13.076
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: 3, replica: 1
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -217.338389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.338389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.338389 (E_RNA)
where:
Base-Base interactions energy: -143.729
where: short stacking energy: -60.787
Base-Backbone interact. energy: -0.010
local terms energy: -73.599527
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -18.520
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: 10
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -181.340631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.340631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.340631 (E_RNA)
where:
Base-Base interactions energy: -109.616
where: short stacking energy: -62.484
Base-Backbone interact. energy: -0.006
local terms energy: -71.718719
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -9.698
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: 5, replica: 4
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -160.142078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.142078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.142078 (E_RNA)
where:
Base-Base interactions energy: -99.606
where: short stacking energy: -50.377
Base-Backbone interact. energy: -0.016
local terms energy: -60.520120
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -10.454
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -12.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -98.968782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.968782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.968782 (E_RNA)
where:
Base-Base interactions energy: -32.085
where: short stacking energy: -32.085
Base-Backbone interact. energy: -0.002
local terms energy: -66.881474
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -10.403
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -10.887
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: 7, replica: 3
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -133.868974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.868974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.868974 (E_RNA)
where:
Base-Base interactions energy: -82.669
where: short stacking energy: -39.001
Base-Backbone interact. energy: -0.166
local terms energy: -51.034132
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -6.420
tors. eta vs tors. theta energy: -4.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -93.179589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.179589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.179589 (E_RNA)
where:
Base-Base interactions energy: -42.452
where: short stacking energy: -41.617
Base-Backbone interact. energy: -0.158
local terms energy: -50.568820
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -4.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -93.956658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.956658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.956658 (E_RNA)
where:
Base-Base interactions energy: -45.406
where: short stacking energy: -40.005
Base-Backbone interact. energy: 0.589
local terms energy: -49.139307
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -10.834
flat angles C4'-P-C4' energy: -6.865
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -8.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -77.463366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.463366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.463366 (E_RNA)
where:
Base-Base interactions energy: -29.239
where: short stacking energy: -28.477
Base-Backbone interact. energy: -1.195
local terms energy: -47.029270
where:
bonds (distance) C4'-P energy: -8.775
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -6.045
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: 5
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -218.729652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.729652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.729652 (E_RNA)
where:
Base-Base interactions energy: -150.227
where: short stacking energy: -64.698
Base-Backbone interact. energy: -1.271
local terms energy: -67.231495
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -19.049
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: 7
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -219.375929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.375929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.375929 (E_RNA)
where:
Base-Base interactions energy: -139.764
where: short stacking energy: -61.873
Base-Backbone interact. energy: -0.428
local terms energy: -79.183952
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -20.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -213.897469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.897469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.897469 (E_RNA)
where:
Base-Base interactions energy: -137.058
where: short stacking energy: -63.029
Base-Backbone interact. energy: -0.171
local terms energy: -76.668290
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -18.215
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: 10
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -179.806098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.806098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.806098 (E_RNA)
where:
Base-Base interactions energy: -112.001
where: short stacking energy: -58.654
Base-Backbone interact. energy: -0.074
local terms energy: -67.730566
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -13.039
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: 8
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -107.912014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.912014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.912014 (E_RNA)
where:
Base-Base interactions energy: -48.287
where: short stacking energy: -35.126
Base-Backbone interact. energy: -0.132
local terms energy: -59.492807
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -5.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -166.371015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.371015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.371015 (E_RNA)
where:
Base-Base interactions energy: -103.660
where: short stacking energy: -46.802
Base-Backbone interact. energy: -0.421
local terms energy: -62.289152
where:
bonds (distance) C4'-P energy: -8.865
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -10.533
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: 7, replica: 6
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -85.997412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.997412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.997412 (E_RNA)
where:
Base-Base interactions energy: -37.500
where: short stacking energy: -31.704
Base-Backbone interact. energy: -0.076
local terms energy: -48.421353
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -3.448
tors. eta vs tors. theta energy: -3.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -88.339875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.339875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.339875 (E_RNA)
where:
Base-Base interactions energy: -35.749
where: short stacking energy: -33.783
Base-Backbone interact. energy: -0.213
local terms energy: -52.377875
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -2.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -78.444098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.444098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.444098 (E_RNA)
where:
Base-Base interactions energy: -24.367
where: short stacking energy: -23.220
Base-Backbone interact. energy: -0.106
local terms energy: -53.971165
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -1.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -75.773199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.773199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.773199 (E_RNA)
where:
Base-Base interactions energy: -24.605
where: short stacking energy: -23.836
Base-Backbone interact. energy: -0.449
local terms energy: -50.719086
where:
bonds (distance) C4'-P energy: -7.880
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -0.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -228.494762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.494762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.494762 (E_RNA)
where:
Base-Base interactions energy: -146.280
where: short stacking energy: -74.623
Base-Backbone interact. energy: -0.001
local terms energy: -82.213441
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -20.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -223.167482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.167482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.167482 (E_RNA)
where:
Base-Base interactions energy: -146.474
where: short stacking energy: -64.976
Base-Backbone interact. energy: -2.057
local terms energy: -74.636506
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -10.892
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -11.144
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: 3, replica: 1
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -216.521502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.521502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.521502 (E_RNA)
where:
Base-Base interactions energy: -146.306
where: short stacking energy: -67.574
Base-Backbone interact. energy: -0.524
local terms energy: -69.691491
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -16.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -111.911489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.911489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.911489 (E_RNA)
where:
Base-Base interactions energy: -47.096
where: short stacking energy: -46.852
Base-Backbone interact. energy: -0.150
local terms energy: -64.665930
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -9.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -172.081309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.081309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.081309 (E_RNA)
where:
Base-Base interactions energy: -108.175
where: short stacking energy: -48.022
Base-Backbone interact. energy: 0.648
local terms energy: -64.554183
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -13.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -158.885703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.885703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.885703 (E_RNA)
where:
Base-Base interactions energy: -102.779
where: short stacking energy: -52.964
Base-Backbone interact. energy: -0.313
local terms energy: -55.793614
where:
bonds (distance) C4'-P energy: -7.615
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -11.673
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -13.326
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: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -97.434297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.434297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.434297 (E_RNA)
where:
Base-Base interactions energy: -44.382
where: short stacking energy: -33.399
Base-Backbone interact. energy: -0.099
local terms energy: -52.953519
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -10.304
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: 8, replica: 9
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -91.305849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.305849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.305849 (E_RNA)
where:
Base-Base interactions energy: -40.595
where: short stacking energy: -38.236
Base-Backbone interact. energy: -0.249
local terms energy: -50.462176
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -12.896
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -6.410
tors. eta vs tors. theta energy: -4.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -79.314529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.314529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.314529 (E_RNA)
where:
Base-Base interactions energy: -34.544
where: short stacking energy: -19.102
Base-Backbone interact. energy: -0.142
local terms energy: -44.628459
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -10.695
flat angles P-C4'-P energy: -4.485
tors. eta vs tors. theta energy: -0.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -81.203138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.203138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.203138 (E_RNA)
where:
Base-Base interactions energy: -28.701
where: short stacking energy: -16.175
Base-Backbone interact. energy: -1.653
local terms energy: -50.848784
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -10.176
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: 1, replica: 7
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -228.635567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.635567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.635567 (E_RNA)
where:
Base-Base interactions energy: -151.703
where: short stacking energy: -76.226
Base-Backbone interact. energy: -0.002
local terms energy: -76.930565
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -19.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -217.712954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.712954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.712954 (E_RNA)
where:
Base-Base interactions energy: -141.113
where: short stacking energy: -68.185
Base-Backbone interact. energy: -0.017
local terms energy: -76.582484
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -11.174
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: 1
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -216.361720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.361720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.361720 (E_RNA)
where:
Base-Base interactions energy: -138.958
where: short stacking energy: -71.858
Base-Backbone interact. energy: -0.002
local terms energy: -77.401014
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -17.789
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: 8
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -121.957086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.957086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.957086 (E_RNA)
where:
Base-Base interactions energy: -60.873
where: short stacking energy: -49.045
Base-Backbone interact. energy: -0.028
local terms energy: -61.055575
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -12.586
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: 10
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -175.086595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.086595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.086595 (E_RNA)
where:
Base-Base interactions energy: -115.517
where: short stacking energy: -60.920
Base-Backbone interact. energy: -0.073
local terms energy: -59.496954
where:
bonds (distance) C4'-P energy: -8.969
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -7.587
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: 6, replica: 4
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -133.076802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.076802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.076802 (E_RNA)
where:
Base-Base interactions energy: -72.042
where: short stacking energy: -38.556
Base-Backbone interact. energy: 0.004
local terms energy: -61.038541
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -9.552
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: 9
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -104.857474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.857474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.857474 (E_RNA)
where:
Base-Base interactions energy: -42.796
where: short stacking energy: -42.796
Base-Backbone interact. energy: -0.003
local terms energy: -62.058104
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -10.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -93.211605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.211605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.211605 (E_RNA)
where:
Base-Base interactions energy: -44.707
where: short stacking energy: -39.093
Base-Backbone interact. energy: -0.201
local terms energy: -48.303419
where:
bonds (distance) C4'-P energy: -7.823
bonds (distance) P-C4' energy: -12.008
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -5.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -78.787176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.787176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.787176 (E_RNA)
where:
Base-Base interactions energy: -32.876
where: short stacking energy: -24.893
Base-Backbone interact. energy: -0.315
local terms energy: -45.596240
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -11.181
flat angles C4'-P-C4' energy: -8.920
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -1.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -76.375657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.375657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.375657 (E_RNA)
where:
Base-Base interactions energy: -32.940
where: short stacking energy: -32.940
Base-Backbone interact. energy: -0.087
local terms energy: -43.348341
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -6.250
flat angles P-C4'-P energy: -3.953
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: 1, replica: 7
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -221.895502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.895502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.895502 (E_RNA)
where:
Base-Base interactions energy: -146.644
where: short stacking energy: -67.283
Base-Backbone interact. energy: -0.040
local terms energy: -75.211895
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -21.910
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: 1
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -230.823548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.823548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.823548 (E_RNA)
where:
Base-Base interactions energy: -149.263
where: short stacking energy: -77.570
Base-Backbone interact. energy: -0.003
local terms energy: -81.557399
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -13.053
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: 3, replica: 5
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -220.421440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.421440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.421440 (E_RNA)
where:
Base-Base interactions energy: -141.546
where: short stacking energy: -67.634
Base-Backbone interact. energy: -0.184
local terms energy: -78.691017
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -11.597
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: 4, replica: 10
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -189.060251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.060251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.060251 (E_RNA)
where:
Base-Base interactions energy: -117.411
where: short stacking energy: -62.335
Base-Backbone interact. energy: -1.486
local terms energy: -70.163229
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -14.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -119.648621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.648621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.648621 (E_RNA)
where:
Base-Base interactions energy: -68.001
where: short stacking energy: -32.737
Base-Backbone interact. energy: -0.191
local terms energy: -51.457113
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -5.791
tors. eta vs tors. theta energy: -2.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -150.191806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.191806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.191806 (E_RNA)
where:
Base-Base interactions energy: -87.604
where: short stacking energy: -41.969
Base-Backbone interact. energy: -0.283
local terms energy: -62.304131
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -8.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -98.371852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.371852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.371852 (E_RNA)
where:
Base-Base interactions energy: -43.397
where: short stacking energy: -38.006
Base-Backbone interact. energy: -0.007
local terms energy: -54.967905
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -11.275
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -5.868
tors. eta vs tors. theta energy: -11.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -97.346240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.346240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.346240 (E_RNA)
where:
Base-Base interactions energy: -50.006
where: short stacking energy: -38.221
Base-Backbone interact. energy: -0.661
local terms energy: -46.679171
where:
bonds (distance) C4'-P energy: -9.503
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -6.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -113.946634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.946634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.946634 (E_RNA)
where:
Base-Base interactions energy: -59.130
where: short stacking energy: -32.460
Base-Backbone interact. energy: -0.316
local terms energy: -54.500760
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -6.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -118.630671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.630671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.630671 (E_RNA)
where:
Base-Base interactions energy: -62.816
where: short stacking energy: -21.340
Base-Backbone interact. energy: -0.170
local terms energy: -55.644480
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -2.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -217.386866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.386866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.386866 (E_RNA)
where:
Base-Base interactions energy: -145.189
where: short stacking energy: -63.677
Base-Backbone interact. energy: -1.101
local terms energy: -71.096886
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -16.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -227.659884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.659884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.659884 (E_RNA)
where:
Base-Base interactions energy: -158.035
where: short stacking energy: -70.880
Base-Backbone interact. energy: -0.169
local terms energy: -69.456330
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -19.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -212.309399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.309399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.309399 (E_RNA)
where:
Base-Base interactions energy: -140.111
where: short stacking energy: -62.610
Base-Backbone interact. energy: -1.666
local terms energy: -70.531834
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -16.941
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -18.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -174.959432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.959432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.959432 (E_RNA)
where:
Base-Base interactions energy: -100.712
where: short stacking energy: -55.730
Base-Backbone interact. energy: -0.413
local terms energy: -73.834947
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -10.679
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: 5, replica: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -174.460655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.460655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.460655 (E_RNA)
where:
Base-Base interactions energy: -113.475
where: short stacking energy: -57.661
Base-Backbone interact. energy: -0.122
local terms energy: -60.863720
where:
bonds (distance) C4'-P energy: -9.293
bonds (distance) P-C4' energy: -9.662
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -15.699
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: 8
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -119.858290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.858290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.858290 (E_RNA)
where:
Base-Base interactions energy: -80.419
where: short stacking energy: -21.707
Base-Backbone interact. energy: -0.505
local terms energy: -38.934826
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -10.403
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -5.510
tors. eta vs tors. theta energy: 1.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -111.031410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.031410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.031410 (E_RNA)
where:
Base-Base interactions energy: -52.238
where: short stacking energy: -42.349
Base-Backbone interact. energy: -0.097
local terms energy: -58.695549
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -11.845
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -11.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -86.706071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.706071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.706071 (E_RNA)
where:
Base-Base interactions energy: -35.482
where: short stacking energy: -31.097
Base-Backbone interact. energy: -0.033
local terms energy: -51.190888
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -10.791
flat angles P-C4'-P energy: -6.594
tors. eta vs tors. theta energy: -7.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -86.688444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.688444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.688444 (E_RNA)
where:
Base-Base interactions energy: -44.527
where: short stacking energy: -24.268
Base-Backbone interact. energy: -0.221
local terms energy: -41.940511
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -3.361
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -2.412
tors. eta vs tors. theta energy: -4.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -94.679053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.679053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.679053 (E_RNA)
where:
Base-Base interactions energy: -43.805
where: short stacking energy: -31.733
Base-Backbone interact. energy: -0.019
local terms energy: -50.855306
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -10.504
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -3.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -216.310206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.310206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.310206 (E_RNA)
where:
Base-Base interactions energy: -141.756
where: short stacking energy: -67.518
Base-Backbone interact. energy: -0.003
local terms energy: -74.550649
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -16.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -230.218180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.218180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.218180 (E_RNA)
where:
Base-Base interactions energy: -154.830
where: short stacking energy: -82.532
Base-Backbone interact. energy: -0.026
local terms energy: -75.362026
where:
bonds (distance) C4'-P energy: -10.076
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -20.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -198.683949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.683949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.683949 (E_RNA)
where:
Base-Base interactions energy: -128.380
where: short stacking energy: -57.569
Base-Backbone interact. energy: -0.404
local terms energy: -69.900068
where:
bonds (distance) C4'-P energy: -11.025
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -16.904
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: 4, replica: 4
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -206.023663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.023663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.023663 (E_RNA)
where:
Base-Base interactions energy: -137.831
where: short stacking energy: -62.057
Base-Backbone interact. energy: -0.738
local terms energy: -67.454690
where:
bonds (distance) C4'-P energy: -9.457
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -18.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -174.799649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.799649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.799649 (E_RNA)
where:
Base-Base interactions energy: -114.293
where: short stacking energy: -56.198
Base-Backbone interact. energy: -0.567
local terms energy: -59.939472
where:
bonds (distance) C4'-P energy: -8.435
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -11.263
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: 2
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -100.056035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.056035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.056035 (E_RNA)
where:
Base-Base interactions energy: -43.355
where: short stacking energy: -26.114
Base-Backbone interact. energy: -0.083
local terms energy: -56.617776
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -5.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -120.275912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.275912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.275912 (E_RNA)
where:
Base-Base interactions energy: -74.490
where: short stacking energy: -37.486
Base-Backbone interact. energy: -0.951
local terms energy: -44.835496
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -2.906
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: 8, replica: 3
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -82.584869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.584869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.584869 (E_RNA)
where:
Base-Base interactions energy: -31.991
where: short stacking energy: -30.472
Base-Backbone interact. energy: -0.096
local terms energy: -50.497333
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -3.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -91.158988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.158988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.158988 (E_RNA)
where:
Base-Base interactions energy: -48.050
where: short stacking energy: -32.659
Base-Backbone interact. energy: 0.237
local terms energy: -43.346562
where:
bonds (distance) C4'-P energy: -8.523
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -0.102
tors. eta vs tors. theta energy: -6.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -89.903363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.903363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.903363 (E_RNA)
where:
Base-Base interactions energy: -42.541
where: short stacking energy: -39.627
Base-Backbone interact. energy: -0.162
local terms energy: -47.200364
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: -3.619
tors. eta vs tors. theta energy: -6.607
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: 7
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -221.704507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.704507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.704507 (E_RNA)
where:
Base-Base interactions energy: -146.306
where: short stacking energy: -71.289
Base-Backbone interact. energy: -0.023
local terms energy: -75.375072
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -20.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -216.665462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.665462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.665462 (E_RNA)
where:
Base-Base interactions energy: -137.851
where: short stacking energy: -65.213
Base-Backbone interact. energy: -0.003
local terms energy: -78.811047
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -20.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -213.074274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.074274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.074274 (E_RNA)
where:
Base-Base interactions energy: -136.295
where: short stacking energy: -60.125
Base-Backbone interact. energy: -0.830
local terms energy: -75.949884
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -12.461
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: 4, replica: 5
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -192.423746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.423746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.423746 (E_RNA)
where:
Base-Base interactions energy: -125.621
where: short stacking energy: -54.784
Base-Backbone interact. energy: -0.199
local terms energy: -66.604056
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -13.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -148.604107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.604107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.604107 (E_RNA)
where:
Base-Base interactions energy: -88.240
where: short stacking energy: -50.846
Base-Backbone interact. energy: 0.345
local terms energy: -60.709912
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -10.510
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -10.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -97.028839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.028839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.028839 (E_RNA)
where:
Base-Base interactions energy: -39.751
where: short stacking energy: -39.751
Base-Backbone interact. energy: -0.091
local terms energy: -57.186804
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -7.941
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: 7, replica: 8
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -96.877922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.877922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.877922 (E_RNA)
where:
Base-Base interactions energy: -41.558
where: short stacking energy: -25.372
Base-Backbone interact. energy: 0.445
local terms energy: -55.765111
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -3.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -74.964580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.964580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.964580 (E_RNA)
where:
Base-Base interactions energy: -22.091
where: short stacking energy: -22.091
Base-Backbone interact. energy: -0.208
local terms energy: -52.665905
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -2.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -70.558150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.558150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.558150 (E_RNA)
where:
Base-Base interactions energy: -22.976
where: short stacking energy: -22.976
Base-Backbone interact. energy: -0.134
local terms energy: -47.448254
where:
bonds (distance) C4'-P energy: -8.713
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -5.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -75.907526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.907526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.907526 (E_RNA)
where:
Base-Base interactions energy: -27.776
where: short stacking energy: -22.107
Base-Backbone interact. energy: -0.112
local terms energy: -48.020223
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -11.377
flat angles P-C4'-P energy: -5.049
tors. eta vs tors. theta energy: -4.905
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: 7
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -217.141999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.141999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.141999 (E_RNA)
where:
Base-Base interactions energy: -149.454
where: short stacking energy: -65.265
Base-Backbone interact. energy: -0.057
local terms energy: -67.630669
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -12.628
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: 2, replica: 1
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -211.547751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.547751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.547751 (E_RNA)
where:
Base-Base interactions energy: -135.942
where: short stacking energy: -63.572
Base-Backbone interact. energy: -0.592
local terms energy: -75.013851
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -16.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -215.644266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.644266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.644266 (E_RNA)
where:
Base-Base interactions energy: -138.561
where: short stacking energy: -66.992
Base-Backbone interact. energy: -0.136
local terms energy: -76.946663
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -10.736
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: 4, replica: 5
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -214.640441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.640441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.640441 (E_RNA)
where:
Base-Base interactions energy: -141.039
where: short stacking energy: -62.155
Base-Backbone interact. energy: 1.633
local terms energy: -75.234321
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -20.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -178.137444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.137444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.137444 (E_RNA)
where:
Base-Base interactions energy: -105.213
where: short stacking energy: -65.524
Base-Backbone interact. energy: -0.313
local terms energy: -72.611300
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -15.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -104.807723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.807723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.807723 (E_RNA)
where:
Base-Base interactions energy: -45.489
where: short stacking energy: -40.070
Base-Backbone interact. energy: -0.041
local terms energy: -59.277155
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -8.732
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -12.931
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: 8
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -91.172243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.172243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.172243 (E_RNA)
where:
Base-Base interactions energy: -44.476
where: short stacking energy: -20.867
Base-Backbone interact. energy: -0.110
local terms energy: -46.585819
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -0.640
tors. eta vs tors. theta energy: -3.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -84.777076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.777076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.777076 (E_RNA)
where:
Base-Base interactions energy: -35.666
where: short stacking energy: -33.847
Base-Backbone interact. energy: -0.131
local terms energy: -48.980367
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -4.845
tors. eta vs tors. theta energy: -7.216
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: 3
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -82.224599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.224599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.224599 (E_RNA)
where:
Base-Base interactions energy: -35.133
where: short stacking energy: -25.036
Base-Backbone interact. energy: -0.122
local terms energy: -46.969228
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -1.465
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: 10, replica: 9
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -78.459161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.459161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.459161 (E_RNA)
where:
Base-Base interactions energy: -24.244
where: short stacking energy: -24.244
Base-Backbone interact. energy: -1.181
local terms energy: -53.034423
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -3.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -218.709956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.709956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.709956 (E_RNA)
where:
Base-Base interactions energy: -144.079
where: short stacking energy: -65.439
Base-Backbone interact. energy: -0.425
local terms energy: -74.205481
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -17.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -219.380512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.380512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.380512 (E_RNA)
where:
Base-Base interactions energy: -142.867
where: short stacking energy: -70.350
Base-Backbone interact. energy: -0.035
local terms energy: -76.477874
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -20.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -205.969466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.969466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.969466 (E_RNA)
where:
Base-Base interactions energy: -138.559
where: short stacking energy: -63.310
Base-Backbone interact. energy: -0.008
local terms energy: -67.402528
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -17.764
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: 4
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -215.259916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.259916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.259916 (E_RNA)
where:
Base-Base interactions energy: -144.580
where: short stacking energy: -62.328
Base-Backbone interact. energy: -0.683
local terms energy: -69.997401
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -18.500
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: 10
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -163.538245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.538245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.538245 (E_RNA)
where:
Base-Base interactions energy: -99.878
where: short stacking energy: -55.376
Base-Backbone interact. energy: -0.343
local terms energy: -63.317048
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -10.045
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: 2
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -98.949502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.949502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.949502 (E_RNA)
where:
Base-Base interactions energy: -43.167
where: short stacking energy: -33.174
Base-Backbone interact. energy: -0.044
local terms energy: -55.738793
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -3.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -101.664239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.664239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.664239 (E_RNA)
where:
Base-Base interactions energy: -54.780
where: short stacking energy: -26.987
Base-Backbone interact. energy: -0.027
local terms energy: -46.857802
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -9.026
flat angles C4'-P-C4' energy: -10.345
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -2.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -76.248273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.248273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.248273 (E_RNA)
where:
Base-Base interactions energy: -30.281
where: short stacking energy: -29.678
Base-Backbone interact. energy: -0.795
local terms energy: -45.172667
where:
bonds (distance) C4'-P energy: -10.074
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -10.517
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -3.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -78.260986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.260986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.260986 (E_RNA)
where:
Base-Base interactions energy: -38.487
where: short stacking energy: -28.057
Base-Backbone interact. energy: -0.324
local terms energy: -39.450103
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -11.624
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -6.210
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: 10, replica: 3
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -79.402496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.402496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.402496 (E_RNA)
where:
Base-Base interactions energy: -22.599
where: short stacking energy: -22.599
Base-Backbone interact. energy: -0.108
local terms energy: -56.696093
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -9.775
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -5.725
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: 1, replica: 7
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -225.409667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.409667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.409667 (E_RNA)
where:
Base-Base interactions energy: -154.380
where: short stacking energy: -64.169
Base-Backbone interact. energy: -0.006
local terms energy: -71.024351
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -18.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -214.914578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.914578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.914578 (E_RNA)
where:
Base-Base interactions energy: -147.658
where: short stacking energy: -60.255
Base-Backbone interact. energy: 0.135
local terms energy: -67.391575
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -14.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -215.548720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.548720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.548720 (E_RNA)
where:
Base-Base interactions energy: -142.578
where: short stacking energy: -67.394
Base-Backbone interact. energy: 0.108
local terms energy: -73.078302
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -11.738
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: 4, replica: 4
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -212.174324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.174324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.174324 (E_RNA)
where:
Base-Base interactions energy: -143.333
where: short stacking energy: -71.277
Base-Backbone interact. energy: 0.138
local terms energy: -68.978918
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -19.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -150.801099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.801099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.801099 (E_RNA)
where:
Base-Base interactions energy: -96.898
where: short stacking energy: -33.668
Base-Backbone interact. energy: 0.056
local terms energy: -53.958257
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -1.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -106.247559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.247559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.247559 (E_RNA)
where:
Base-Base interactions energy: -52.640
where: short stacking energy: -37.480
Base-Backbone interact. energy: -0.218
local terms energy: -53.389609
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -11.449
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -6.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -90.428778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.428778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.428778 (E_RNA)
where:
Base-Base interactions energy: -42.126
where: short stacking energy: -42.126
Base-Backbone interact. energy: -0.108
local terms energy: -48.194034
where:
bonds (distance) C4'-P energy: -7.958
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -7.047
tors. eta vs tors. theta energy: -4.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -82.489093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.489093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.489093 (E_RNA)
where:
Base-Base interactions energy: -32.291
where: short stacking energy: -31.035
Base-Backbone interact. energy: -0.170
local terms energy: -50.027591
where:
bonds (distance) C4'-P energy: -7.035
bonds (distance) P-C4' energy: -9.345
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -11.719
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: 9, replica: 8
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -93.939819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.939819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.939819 (E_RNA)
where:
Base-Base interactions energy: -39.471
where: short stacking energy: -37.480
Base-Backbone interact. energy: -0.375
local terms energy: -54.093124
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -8.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -76.700616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.700616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.700616 (E_RNA)
where:
Base-Base interactions energy: -29.174
where: short stacking energy: -19.873
Base-Backbone interact. energy: 1.349
local terms energy: -48.875099
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -4.068
tors. eta vs tors. theta energy: -4.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -210.343202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.343202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.343202 (E_RNA)
where:
Base-Base interactions energy: -134.619
where: short stacking energy: -56.279
Base-Backbone interact. energy: -0.307
local terms energy: -75.417057
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -16.958
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: 2, replica: 7
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -218.535329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.535329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.535329 (E_RNA)
where:
Base-Base interactions energy: -143.348
where: short stacking energy: -56.728
Base-Backbone interact. energy: -0.042
local terms energy: -75.145155
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -18.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -216.386440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.386440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.386440 (E_RNA)
where:
Base-Base interactions energy: -142.635
where: short stacking energy: -66.252
Base-Backbone interact. energy: -0.008
local terms energy: -73.743028
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -8.680
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: 4, replica: 1
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -206.247969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.247969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.247969 (E_RNA)
where:
Base-Base interactions energy: -142.073
where: short stacking energy: -56.103
Base-Backbone interact. energy: -0.019
local terms energy: -64.154976
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -14.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -162.896121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.896121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.896121 (E_RNA)
where:
Base-Base interactions energy: -97.676
where: short stacking energy: -51.811
Base-Backbone interact. energy: -0.092
local terms energy: -65.128296
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -11.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -109.795823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.795823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.795823 (E_RNA)
where:
Base-Base interactions energy: -59.610
where: short stacking energy: -35.456
Base-Backbone interact. energy: -0.124
local terms energy: -50.061573
where:
bonds (distance) C4'-P energy: -7.725
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -92.688313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.688313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.688313 (E_RNA)
where:
Base-Base interactions energy: -39.992
where: short stacking energy: -27.686
Base-Backbone interact. energy: -0.361
local terms energy: -52.335032
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: 0.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -85.711563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.711563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.711563 (E_RNA)
where:
Base-Base interactions energy: -32.741
where: short stacking energy: -27.449
Base-Backbone interact. energy: 0.120
local terms energy: -53.090635
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -10.932
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: 0.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -78.869894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.869894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.869894 (E_RNA)
where:
Base-Base interactions energy: -28.002
where: short stacking energy: -27.142
Base-Backbone interact. energy: -0.123
local terms energy: -50.744485
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -11.521
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -3.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -81.727361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.727361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.727361 (E_RNA)
where:
Base-Base interactions energy: -32.281
where: short stacking energy: -20.927
Base-Backbone interact. energy: 0.160
local terms energy: -49.605842
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -2.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -214.575360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.575360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.575360 (E_RNA)
where:
Base-Base interactions energy: -144.518
where: short stacking energy: -59.762
Base-Backbone interact. energy: -0.065
local terms energy: -69.992600
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -16.724
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: 2, replica: 7
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -220.231772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.231772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.231772 (E_RNA)
where:
Base-Base interactions energy: -139.912
where: short stacking energy: -46.178
Base-Backbone interact. energy: -1.278
local terms energy: -79.041845
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -14.226
tors. eta vs tors. theta energy: -18.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -222.895394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.895394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.895394 (E_RNA)
where:
Base-Base interactions energy: -150.629
where: short stacking energy: -57.861
Base-Backbone interact. energy: -1.249
local terms energy: -71.017609
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -11.574
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: 4, replica: 1
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -208.185322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.185322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.185322 (E_RNA)
where:
Base-Base interactions energy: -147.166
where: short stacking energy: -62.583
Base-Backbone interact. energy: -0.043
local terms energy: -60.975858
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -13.136
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -14.035
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: 10
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -165.875057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.875057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.875057 (E_RNA)
where:
Base-Base interactions energy: -102.745
where: short stacking energy: -57.167
Base-Backbone interact. energy: -0.079
local terms energy: -63.050648
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -9.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -87.185085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.185085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.185085 (E_RNA)
where:
Base-Base interactions energy: -36.338
where: short stacking energy: -34.299
Base-Backbone interact. energy: -0.119
local terms energy: -50.728455
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -5.643
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -7.284
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: 2
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -94.642372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.642372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.642372 (E_RNA)
where:
Base-Base interactions energy: -45.581
where: short stacking energy: -27.045
Base-Backbone interact. energy: 0.290
local terms energy: -49.351452
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -4.026
tors. eta vs tors. theta energy: -5.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -80.616604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.616604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.616604 (E_RNA)
where:
Base-Base interactions energy: -35.487
where: short stacking energy: -30.897
Base-Backbone interact. energy: 0.764
local terms energy: -45.894119
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -10.507
flat angles C4'-P-C4' energy: -9.277
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -4.979
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: 6
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -94.714062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.714062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.714062 (E_RNA)
where:
Base-Base interactions energy: -49.217
where: short stacking energy: -28.292
Base-Backbone interact. energy: -1.095
local terms energy: -44.402583
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -9.866
flat angles P-C4'-P energy: -2.180
tors. eta vs tors. theta energy: -5.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -86.901614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.901614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.901614 (E_RNA)
where:
Base-Base interactions energy: -35.775
where: short stacking energy: -32.851
Base-Backbone interact. energy: -0.248
local terms energy: -50.878830
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -3.878
tors. eta vs tors. theta energy: -3.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -221.624892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.624892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.624892 (E_RNA)
where:
Base-Base interactions energy: -144.254
where: short stacking energy: -49.948
Base-Backbone interact. energy: -2.523
local terms energy: -74.848421
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -18.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -211.612017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.612017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.612017 (E_RNA)
where:
Base-Base interactions energy: -141.840
where: short stacking energy: -65.874
Base-Backbone interact. energy: -0.083
local terms energy: -69.688540
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -16.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -215.029402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.029402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.029402 (E_RNA)
where:
Base-Base interactions energy: -133.239
where: short stacking energy: -65.981
Base-Backbone interact. energy: -0.536
local terms energy: -81.254188
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -14.453
tors. eta vs tors. theta energy: -20.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -217.033367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.033367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.033367 (E_RNA)
where:
Base-Base interactions energy: -145.327
where: short stacking energy: -74.474
Base-Backbone interact. energy: -0.038
local terms energy: -71.668406
where:
bonds (distance) C4'-P energy: -9.939
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -21.752
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: 5, replica: 9
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -103.149458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.149458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.149458 (E_RNA)
where:
Base-Base interactions energy: -51.242
where: short stacking energy: -35.377
Base-Backbone interact. energy: -0.471
local terms energy: -51.436430
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -11.132
flat angles P-C4'-P energy: -5.427
tors. eta vs tors. theta energy: -8.509
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: 376
Temperature: 1.150000
Total energy: -164.528910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.528910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.528910 (E_RNA)
where:
Base-Base interactions energy: -100.463
where: short stacking energy: -63.541
Base-Backbone interact. energy: -0.007
local terms energy: -64.058930
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -11.067
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -15.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -101.268527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.268527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.268527 (E_RNA)
where:
Base-Base interactions energy: -54.685
where: short stacking energy: -32.503
Base-Backbone interact. energy: -0.108
local terms energy: -46.475317
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: 0.243
tors. eta vs tors. theta energy: -3.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -107.169075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.169075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.169075 (E_RNA)
where:
Base-Base interactions energy: -54.696
where: short stacking energy: -37.799
Base-Backbone interact. energy: -0.126
local terms energy: -52.346655
where:
bonds (distance) C4'-P energy: -9.806
bonds (distance) P-C4' energy: -9.267
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -7.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -85.680993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.680993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.680993 (E_RNA)
where:
Base-Base interactions energy: -41.115
where: short stacking energy: -31.151
Base-Backbone interact. energy: -0.358
local terms energy: -44.208676
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -6.887
flat angles P-C4'-P energy: -7.118
tors. eta vs tors. theta energy: -3.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -69.757617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.757617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.757617 (E_RNA)
where:
Base-Base interactions energy: -21.811
where: short stacking energy: -21.811
Base-Backbone interact. energy: 1.717
local terms energy: -49.663352
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -17.106
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: 1.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -224.530866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.530866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.530866 (E_RNA)
where:
Base-Base interactions energy: -147.432
where: short stacking energy: -63.605
Base-Backbone interact. energy: -0.457
local terms energy: -76.642097
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -9.873
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: 2, replica: 4
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -223.266202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.266202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.266202 (E_RNA)
where:
Base-Base interactions energy: -142.924
where: short stacking energy: -62.667
Base-Backbone interact. energy: -0.000
local terms energy: -80.342387
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -20.462
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: 5
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -215.031387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.031387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.031387 (E_RNA)
where:
Base-Base interactions energy: -137.903
where: short stacking energy: -53.901
Base-Backbone interact. energy: -0.478
local terms energy: -76.650541
where:
bonds (distance) C4'-P energy: -18.445
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -19.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -213.117626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.117626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.117626 (E_RNA)
where:
Base-Base interactions energy: -141.138
where: short stacking energy: -61.606
Base-Backbone interact. energy: -0.002
local terms energy: -71.977573
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -12.305
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -19.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -109.382605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.382605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.382605 (E_RNA)
where:
Base-Base interactions energy: -54.148
where: short stacking energy: -48.131
Base-Backbone interact. energy: -0.867
local terms energy: -54.368084
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -6.000
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: 6, replica: 10
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -180.202566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.202566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.202566 (E_RNA)
where:
Base-Base interactions energy: -112.564
where: short stacking energy: -63.147
Base-Backbone interact. energy: -0.004
local terms energy: -67.634776
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -16.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -99.684604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.684604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.684604 (E_RNA)
where:
Base-Base interactions energy: -42.530
where: short stacking energy: -35.746
Base-Backbone interact. energy: -1.183
local terms energy: -55.971614
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -9.960
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -4.846
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: 8
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -83.210386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.210386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.210386 (E_RNA)
where:
Base-Base interactions energy: -39.322
where: short stacking energy: -24.964
Base-Backbone interact. energy: -0.432
local terms energy: -43.457194
where:
bonds (distance) C4'-P energy: -6.328
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -0.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -83.572401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.572401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.572401 (E_RNA)
where:
Base-Base interactions energy: -32.061
where: short stacking energy: -30.559
Base-Backbone interact. energy: -0.271
local terms energy: -51.240511
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: 2.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -76.739724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.739724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.739724 (E_RNA)
where:
Base-Base interactions energy: -22.931
where: short stacking energy: -13.108
Base-Backbone interact. energy: -0.013
local terms energy: -53.795284
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -2.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -220.354949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.354949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.354949 (E_RNA)
where:
Base-Base interactions energy: -149.905
where: short stacking energy: -55.818
Base-Backbone interact. energy: -0.889
local terms energy: -69.560766
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -17.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -219.806728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.806728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.806728 (E_RNA)
where:
Base-Base interactions energy: -150.794
where: short stacking energy: -58.277
Base-Backbone interact. energy: -0.122
local terms energy: -68.890867
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -17.397
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: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -215.491223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.491223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.491223 (E_RNA)
where:
Base-Base interactions energy: -141.496
where: short stacking energy: -68.666
Base-Backbone interact. energy: -1.744
local terms energy: -72.251290
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -12.273
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: 4, replica: 5
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -206.604939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.604939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.604939 (E_RNA)
where:
Base-Base interactions energy: -135.791
where: short stacking energy: -50.966
Base-Backbone interact. energy: -0.093
local terms energy: -70.720834
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -17.807
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: 10
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -170.112168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.112168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.112168 (E_RNA)
where:
Base-Base interactions energy: -112.182
where: short stacking energy: -54.285
Base-Backbone interact. energy: -0.724
local terms energy: -57.206009
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -7.019
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: 6, replica: 9
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -107.192027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.192027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.192027 (E_RNA)
where:
Base-Base interactions energy: -49.694
where: short stacking energy: -45.218
Base-Backbone interact. energy: -0.038
local terms energy: -57.460107
where:
bonds (distance) C4'-P energy: -6.243
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -10.021
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: 7, replica: 8
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -89.022962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.022962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.022962 (E_RNA)
where:
Base-Base interactions energy: -35.262
where: short stacking energy: -35.262
Base-Backbone interact. energy: 0.354
local terms energy: -54.115443
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -4.259
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: 2
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -88.043226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.043226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.043226 (E_RNA)
where:
Base-Base interactions energy: -42.684
where: short stacking energy: -34.253
Base-Backbone interact. energy: 0.476
local terms energy: -45.834778
where:
bonds (distance) C4'-P energy: -9.055
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -7.208
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: 9, replica: 6
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -87.015151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.015151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.015151 (E_RNA)
where:
Base-Base interactions energy: -40.971
where: short stacking energy: -23.874
Base-Backbone interact. energy: -0.103
local terms energy: -45.940794
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -9.816
flat angles P-C4'-P energy: -4.766
tors. eta vs tors. theta energy: 0.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -76.447627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.447627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.447627 (E_RNA)
where:
Base-Base interactions energy: -27.030
where: short stacking energy: -26.244
Base-Backbone interact. energy: -0.195
local terms energy: -49.222953
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -10.818
flat angles C4'-P-C4' energy: -11.097
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -3.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -219.325054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.325054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.325054 (E_RNA)
where:
Base-Base interactions energy: -143.070
where: short stacking energy: -64.716
Base-Backbone interact. energy: 0.947
local terms energy: -77.202708
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -20.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -219.873353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.873353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.873353 (E_RNA)
where:
Base-Base interactions energy: -145.610
where: short stacking energy: -56.221
Base-Backbone interact. energy: -1.281
local terms energy: -72.982704
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -18.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -204.506316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.506316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.506316 (E_RNA)
where:
Base-Base interactions energy: -134.703
where: short stacking energy: -56.907
Base-Backbone interact. energy: -0.153
local terms energy: -69.650282
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -17.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -182.988750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.988750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.988750 (E_RNA)
where:
Base-Base interactions energy: -113.522
where: short stacking energy: -56.890
Base-Backbone interact. energy: -0.073
local terms energy: -69.393945
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -14.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -200.484388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.484388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.484388 (E_RNA)
where:
Base-Base interactions energy: -133.589
where: short stacking energy: -59.098
Base-Backbone interact. energy: -0.000
local terms energy: -66.894744
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -15.246
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: 379
Temperature: 1.150000
Total energy: -91.434689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.434689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.434689 (E_RNA)
where:
Base-Base interactions energy: -40.664
where: short stacking energy: -34.127
Base-Backbone interact. energy: -0.034
local terms energy: -50.736437
where:
bonds (distance) C4'-P energy: -7.999
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -8.220
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: 7, replica: 9
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -110.192132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.192132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.192132 (E_RNA)
where:
Base-Base interactions energy: -57.641
where: short stacking energy: -34.733
Base-Backbone interact. energy: -0.155
local terms energy: -52.395472
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -4.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -83.801241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.801241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.801241 (E_RNA)
where:
Base-Base interactions energy: -41.943
where: short stacking energy: -26.874
Base-Backbone interact. energy: -1.105
local terms energy: -40.753576
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -11.716
flat angles P-C4'-P energy: -3.065
tors. eta vs tors. theta energy: -3.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -89.666166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.666166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.666166 (E_RNA)
where:
Base-Base interactions energy: -40.875
where: short stacking energy: -38.073
Base-Backbone interact. energy: -0.722
local terms energy: -48.069163
where:
bonds (distance) C4'-P energy: -3.355
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -8.335
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: 3
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -80.145535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.145535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.145535 (E_RNA)
where:
Base-Base interactions energy: -26.476
where: short stacking energy: -26.676
Base-Backbone interact. energy: -0.084
local terms energy: -53.585707
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: -5.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -222.491955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.491955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.491955 (E_RNA)
where:
Base-Base interactions energy: -148.430
where: short stacking energy: -62.011
Base-Backbone interact. energy: -0.299
local terms energy: -73.763263
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -19.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -217.089246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.089246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.089246 (E_RNA)
where:
Base-Base interactions energy: -140.172
where: short stacking energy: -64.751
Base-Backbone interact. energy: 1.211
local terms energy: -78.128425
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -20.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -169.995608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.995608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.995608 (E_RNA)
where:
Base-Base interactions energy: -95.486
where: short stacking energy: -50.256
Base-Backbone interact. energy: -0.137
local terms energy: -74.372934
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -13.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -196.088734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.088734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.088734 (E_RNA)
where:
Base-Base interactions energy: -137.515
where: short stacking energy: -50.294
Base-Backbone interact. energy: -0.426
local terms energy: -58.148248
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -11.617
flat angles C4'-P-C4' energy: -10.513
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -12.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -208.302723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.302723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.302723 (E_RNA)
where:
Base-Base interactions energy: -137.526
where: short stacking energy: -63.792
Base-Backbone interact. energy: -0.112
local terms energy: -70.664556
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -11.975
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -7.981
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: 6, replica: 8
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -111.676824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.676824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.676824 (E_RNA)
where:
Base-Base interactions energy: -64.592
where: short stacking energy: -27.703
Base-Backbone interact. energy: -0.846
local terms energy: -46.239307
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -8.107
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -1.621
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: 6
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -100.391014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.391014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.391014 (E_RNA)
where:
Base-Base interactions energy: -41.571
where: short stacking energy: -28.055
Base-Backbone interact. energy: -0.222
local terms energy: -58.598033
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -15.300
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -5.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -88.376961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.376961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.376961 (E_RNA)
where:
Base-Base interactions energy: -41.908
where: short stacking energy: -19.395
Base-Backbone interact. energy: -0.395
local terms energy: -46.073349
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -5.740
tors. eta vs tors. theta energy: 3.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -88.573017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.573017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.573017 (E_RNA)
where:
Base-Base interactions energy: -39.377
where: short stacking energy: -29.343
Base-Backbone interact. energy: 1.262
local terms energy: -50.458210
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -10.988
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -4.062
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: 10, replica: 3
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -81.603681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.603681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.603681 (E_RNA)
where:
Base-Base interactions energy: -29.019
where: short stacking energy: -29.019
Base-Backbone interact. energy: -0.168
local terms energy: -52.416905
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -9.794
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -6.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -222.562672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.562672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.562672 (E_RNA)
where:
Base-Base interactions energy: -143.779
where: short stacking energy: -61.312
Base-Backbone interact. energy: -0.492
local terms energy: -78.291364
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -10.918
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: 7
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -212.305430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.305430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.305430 (E_RNA)
where:
Base-Base interactions energy: -148.405
where: short stacking energy: -61.812
Base-Backbone interact. energy: -0.117
local terms energy: -63.783569
where:
bonds (distance) C4'-P energy: -8.844
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -15.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -180.974438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.974438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.974438 (E_RNA)
where:
Base-Base interactions energy: -110.158
where: short stacking energy: -55.648
Base-Backbone interact. energy: -0.485
local terms energy: -70.331423
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -11.540
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: 4, replica: 5
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -203.165731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.165731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.165731 (E_RNA)
where:
Base-Base interactions energy: -134.884
where: short stacking energy: -55.063
Base-Backbone interact. energy: -0.104
local terms energy: -68.178015
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -16.002
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: 5, replica: 1
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -202.581445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.581445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.581445 (E_RNA)
where:
Base-Base interactions energy: -138.489
where: short stacking energy: -55.101
Base-Backbone interact. energy: 0.040
local terms energy: -64.132524
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -16.945
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: 6, replica: 8
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -94.988101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.988101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.988101 (E_RNA)
where:
Base-Base interactions energy: -42.794
where: short stacking energy: -38.562
Base-Backbone interact. energy: 0.264
local terms energy: -52.457798
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: -3.587
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: 7, replica: 6
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -89.822917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.822917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.822917 (E_RNA)
where:
Base-Base interactions energy: -37.894
where: short stacking energy: -31.291
Base-Backbone interact. energy: 0.094
local terms energy: -52.022324
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -9.519
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -6.958
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: 8, replica: 9
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -81.381470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.381470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.381470 (E_RNA)
where:
Base-Base interactions energy: -34.240
where: short stacking energy: -26.901
Base-Backbone interact. energy: -0.008
local terms energy: -47.133926
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -9.850
flat angles P-C4'-P energy: -5.171
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: 2
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -75.712022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.712022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.712022 (E_RNA)
where:
Base-Base interactions energy: -29.540
where: short stacking energy: -28.351
Base-Backbone interact. energy: -0.093
local terms energy: -46.078512
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: 1.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -74.758944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.758944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.758944 (E_RNA)
where:
Base-Base interactions energy: -24.773
where: short stacking energy: -27.073
Base-Backbone interact. energy: 0.450
local terms energy: -50.435812
where:
bonds (distance) C4'-P energy: -8.886
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -14.073
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: 1, replica: 4
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -217.596673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.596673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.596673 (E_RNA)
where:
Base-Base interactions energy: -148.319
where: short stacking energy: -56.316
Base-Backbone interact. energy: 1.305
local terms energy: -70.582513
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -12.445
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: 7
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -214.076234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.076234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.076234 (E_RNA)
where:
Base-Base interactions energy: -138.024
where: short stacking energy: -63.217
Base-Backbone interact. energy: -0.250
local terms energy: -75.803143
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -17.562
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: 3, replica: 5
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -219.137511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.137511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.137511 (E_RNA)
where:
Base-Base interactions energy: -142.337
where: short stacking energy: -65.344
Base-Backbone interact. energy: -0.788
local terms energy: -76.012225
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -18.964
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: 10
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -192.413308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.413308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.413308 (E_RNA)
where:
Base-Base interactions energy: -121.664
where: short stacking energy: -57.245
Base-Backbone interact. energy: -0.870
local terms energy: -69.878761
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -10.937
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -17.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -209.542071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.542071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.542071 (E_RNA)
where:
Base-Base interactions energy: -136.103
where: short stacking energy: -55.688
Base-Backbone interact. energy: -0.531
local terms energy: -72.907912
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -16.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -93.544810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.544810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.544810 (E_RNA)
where:
Base-Base interactions energy: -40.832
where: short stacking energy: -27.319
Base-Backbone interact. energy: -0.267
local terms energy: -52.445685
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -2.606
tors. eta vs tors. theta energy: -5.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -91.215133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.215133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.215133 (E_RNA)
where:
Base-Base interactions energy: -34.401
where: short stacking energy: -28.479
Base-Backbone interact. energy: -0.695
local terms energy: -56.118612
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -11.418
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: 8, replica: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -92.570974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.570974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.570974 (E_RNA)
where:
Base-Base interactions energy: -43.857
where: short stacking energy: -33.336
Base-Backbone interact. energy: -0.392
local terms energy: -48.321401
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -0.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -84.313312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.313312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.313312 (E_RNA)
where:
Base-Base interactions energy: -30.838
where: short stacking energy: -29.717
Base-Backbone interact. energy: -0.969
local terms energy: -52.506584
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -3.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -81.421534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.421534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.421534 (E_RNA)
where:
Base-Base interactions energy: -33.385
where: short stacking energy: -11.060
Base-Backbone interact. energy: -0.107
local terms energy: -47.929414
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -8.683
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: 3.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -217.208414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.208414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.208414 (E_RNA)
where:
Base-Base interactions energy: -149.819
where: short stacking energy: -61.969
Base-Backbone interact. energy: -0.486
local terms energy: -66.903470
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -10.158
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: 2, replica: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -214.094560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.094560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.094560 (E_RNA)
where:
Base-Base interactions energy: -138.334
where: short stacking energy: -60.078
Base-Backbone interact. energy: -0.767
local terms energy: -74.993216
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -11.298
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: 3, replica: 7
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -212.895566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.895566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.895566 (E_RNA)
where:
Base-Base interactions energy: -136.580
where: short stacking energy: -57.222
Base-Backbone interact. energy: -0.110
local terms energy: -76.205546
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -17.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -199.345045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.345045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.345045 (E_RNA)
where:
Base-Base interactions energy: -128.835
where: short stacking energy: -56.177
Base-Backbone interact. energy: -0.102
local terms energy: -70.407643
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -12.419
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: 5, replica: 10
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -182.890951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.890951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.890951 (E_RNA)
where:
Base-Base interactions energy: -116.363
where: short stacking energy: -55.057
Base-Backbone interact. energy: -0.758
local terms energy: -65.770612
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -16.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -87.032731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.032731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.032731 (E_RNA)
where:
Base-Base interactions energy: -31.785
where: short stacking energy: -31.785
Base-Backbone interact. energy: -0.104
local terms energy: -55.144108
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -10.160
flat angles P-C4'-P energy: -6.654
tors. eta vs tors. theta energy: -7.454
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: 7, replica: 8
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -85.126647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.126647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.126647 (E_RNA)
where:
Base-Base interactions energy: -30.803
where: short stacking energy: -30.485
Base-Backbone interact. energy: -0.202
local terms energy: -54.121221
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -4.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -96.491452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.491452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.491452 (E_RNA)
where:
Base-Base interactions energy: -40.623
where: short stacking energy: -40.623
Base-Backbone interact. energy: -0.002
local terms energy: -55.865966
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -11.040
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -10.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -80.467745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.467745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.467745 (E_RNA)
where:
Base-Base interactions energy: -29.066
where: short stacking energy: -20.319
Base-Backbone interact. energy: -0.040
local terms energy: -51.361566
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -10.948
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -0.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -105.782663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.782663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.782663 (E_RNA)
where:
Base-Base interactions energy: -56.309
where: short stacking energy: -23.562
Base-Backbone interact. energy: -0.541
local terms energy: -48.932421
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -11.281
flat angles P-C4'-P energy: -5.828
tors. eta vs tors. theta energy: -1.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -215.698451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.698451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.698451 (E_RNA)
where:
Base-Base interactions energy: -142.035
where: short stacking energy: -70.391
Base-Backbone interact. energy: -0.094
local terms energy: -73.569096
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -19.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -204.433599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.433599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.433599 (E_RNA)
where:
Base-Base interactions energy: -141.344
where: short stacking energy: -51.713
Base-Backbone interact. energy: -0.134
local terms energy: -62.954960
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -11.721
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: 1
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -214.759161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.759161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.759161 (E_RNA)
where:
Base-Base interactions energy: -132.635
where: short stacking energy: -64.924
Base-Backbone interact. energy: -0.632
local terms energy: -81.492978
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -21.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -208.066748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.066748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.066748 (E_RNA)
where:
Base-Base interactions energy: -131.818
where: short stacking energy: -56.762
Base-Backbone interact. energy: -0.706
local terms energy: -75.543358
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -17.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -111.074182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.074182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.074182 (E_RNA)
where:
Base-Base interactions energy: -47.267
where: short stacking energy: -40.065
Base-Backbone interact. energy: -0.204
local terms energy: -63.602760
where:
bonds (distance) C4'-P energy: -9.445
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -7.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -177.997130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.997130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.997130 (E_RNA)
where:
Base-Base interactions energy: -110.834
where: short stacking energy: -48.255
Base-Backbone interact. energy: -1.353
local terms energy: -65.810751
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: -16.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -99.483474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.483474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.483474 (E_RNA)
where:
Base-Base interactions energy: -43.030
where: short stacking energy: -31.189
Base-Backbone interact. energy: -0.053
local terms energy: -56.400678
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -6.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -86.016329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.016329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.016329 (E_RNA)
where:
Base-Base interactions energy: -35.181
where: short stacking energy: -20.882
Base-Backbone interact. energy: -1.259
local terms energy: -49.576614
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -6.753
tors. eta vs tors. theta energy: 0.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -92.554401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.554401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.554401 (E_RNA)
where:
Base-Base interactions energy: -50.814
where: short stacking energy: -27.174
Base-Backbone interact. energy: -0.450
local terms energy: -41.290408
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -7.361
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -0.328
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: 6
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -81.077263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.077263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.077263 (E_RNA)
where:
Base-Base interactions energy: -29.155
where: short stacking energy: -29.155
Base-Backbone interact. energy: -0.061
local terms energy: -51.861117
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -6.113
tors. eta vs tors. theta energy: -5.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -218.941899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.941899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.941899 (E_RNA)
where:
Base-Base interactions energy: -144.185
where: short stacking energy: -64.137
Base-Backbone interact. energy: -0.006
local terms energy: -74.751068
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -6.458
tors. eta vs tors. theta energy: -22.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -220.622246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.622246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.622246 (E_RNA)
where:
Base-Base interactions energy: -141.412
where: short stacking energy: -74.095
Base-Backbone interact. energy: -0.003
local terms energy: -79.207473
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -11.286
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: 3, replica: 4
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -202.915205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.915205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.915205 (E_RNA)
where:
Base-Base interactions energy: -140.090
where: short stacking energy: -54.946
Base-Backbone interact. energy: -0.077
local terms energy: -62.748394
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -14.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -203.156195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.156195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.156195 (E_RNA)
where:
Base-Base interactions energy: -137.249
where: short stacking energy: -49.033
Base-Backbone interact. energy: 1.310
local terms energy: -67.216651
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -11.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -101.782824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.782824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.782824 (E_RNA)
where:
Base-Base interactions energy: -45.464
where: short stacking energy: -35.153
Base-Backbone interact. energy: -0.583
local terms energy: -55.736499
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -0.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -174.715091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.715091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.715091 (E_RNA)
where:
Base-Base interactions energy: -107.412
where: short stacking energy: -60.515
Base-Backbone interact. energy: -0.019
local terms energy: -67.283446
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -10.841
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: 3
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -91.164252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.164252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.164252 (E_RNA)
where:
Base-Base interactions energy: -36.638
where: short stacking energy: -35.826
Base-Backbone interact. energy: -0.210
local terms energy: -54.316598
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -6.874
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: 8, replica: 2
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -88.193416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.193416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.193416 (E_RNA)
where:
Base-Base interactions energy: -35.925
where: short stacking energy: -31.152
Base-Backbone interact. energy: -0.005
local terms energy: -52.263260
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -4.264
tors. eta vs tors. theta energy: -7.374
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: 9, replica: 8
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -84.763260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.763260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.763260 (E_RNA)
where:
Base-Base interactions energy: -28.275
where: short stacking energy: -27.162
Base-Backbone interact. energy: -0.187
local terms energy: -56.302061
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -8.622
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: 10, replica: 6
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -92.991069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.991069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.991069 (E_RNA)
where:
Base-Base interactions energy: -37.813
where: short stacking energy: -36.124
Base-Backbone interact. energy: 0.392
local terms energy: -55.570219
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -11.494
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -5.688
tors. eta vs tors. theta energy: -8.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -224.053286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.053286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.053286 (E_RNA)
where:
Base-Base interactions energy: -148.391
where: short stacking energy: -72.190
Base-Backbone interact. energy: -0.000
local terms energy: -75.662047
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -11.127
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: 5
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -217.316532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.316532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.316532 (E_RNA)
where:
Base-Base interactions energy: -146.425
where: short stacking energy: -64.869
Base-Backbone interact. energy: -0.002
local terms energy: -70.889863
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -19.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -205.456346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.456346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.456346 (E_RNA)
where:
Base-Base interactions energy: -141.593
where: short stacking energy: -56.028
Base-Backbone interact. energy: -1.082
local terms energy: -62.780878
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -14.552
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: 4
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -208.728816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.728816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.728816 (E_RNA)
where:
Base-Base interactions energy: -146.537
where: short stacking energy: -61.966
Base-Backbone interact. energy: -0.100
local terms energy: -62.091252
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -5.670
tors. eta vs tors. theta energy: -14.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -173.580767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.580767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.580767 (E_RNA)
where:
Base-Base interactions energy: -99.597
where: short stacking energy: -59.820
Base-Backbone interact. energy: -0.824
local terms energy: -73.159768
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -6.724
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: 6, replica: 9
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -100.073094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.073094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.073094 (E_RNA)
where:
Base-Base interactions energy: -44.735
where: short stacking energy: -31.653
Base-Backbone interact. energy: -0.099
local terms energy: -55.239884
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -5.223
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: 2
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -95.919872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.919872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.919872 (E_RNA)
where:
Base-Base interactions energy: -41.889
where: short stacking energy: -30.552
Base-Backbone interact. energy: 0.916
local terms energy: -54.946777
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -5.213
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: 8, replica: 3
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -86.367299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.367299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.367299 (E_RNA)
where:
Base-Base interactions energy: -37.803
where: short stacking energy: -37.803
Base-Backbone interact. energy: -0.000
local terms energy: -48.563803
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -6.038
tors. eta vs tors. theta energy: -5.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -96.362601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.362601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.362601 (E_RNA)
where:
Base-Base interactions energy: -42.934
where: short stacking energy: -40.210
Base-Backbone interact. energy: -0.194
local terms energy: -53.233893
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -10.763
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -10.394
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: 6
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -80.647551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.647551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.647551 (E_RNA)
where:
Base-Base interactions energy: -33.676
where: short stacking energy: -34.458
Base-Backbone interact. energy: -0.386
local terms energy: -46.585241
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -8.749
flat angles P-C4'-P energy: -7.900
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: 1
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -222.851064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.851064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.851064 (E_RNA)
where:
Base-Base interactions energy: -140.894
where: short stacking energy: -56.415
Base-Backbone interact. energy: -0.723
local terms energy: -81.233685
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -12.736
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: 2, replica: 5
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -213.532539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.532539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.532539 (E_RNA)
where:
Base-Base interactions energy: -141.497
where: short stacking energy: -52.858
Base-Backbone interact. energy: -0.281
local terms energy: -71.753837
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -12.495
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: 387
Temperature: 1.000000
Total energy: -203.982903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.982903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.982903 (E_RNA)
where:
Base-Base interactions energy: -138.680
where: short stacking energy: -56.328
Base-Backbone interact. energy: -0.378
local terms energy: -64.925334
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -13.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -200.741657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.741657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.741657 (E_RNA)
where:
Base-Base interactions energy: -134.644
where: short stacking energy: -49.361
Base-Backbone interact. energy: -0.582
local terms energy: -65.515671
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -11.205
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: 10
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -174.994277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.994277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.994277 (E_RNA)
where:
Base-Base interactions energy: -108.179
where: short stacking energy: -58.161
Base-Backbone interact. energy: -0.001
local terms energy: -66.813606
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -14.410
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: 2
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -109.075707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.075707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.075707 (E_RNA)
where:
Base-Base interactions energy: -55.214
where: short stacking energy: -35.204
Base-Backbone interact. energy: -0.744
local terms energy: -53.117503
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -11.441
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -5.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -88.335949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.335949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.335949 (E_RNA)
where:
Base-Base interactions energy: -30.000
where: short stacking energy: -30.000
Base-Backbone interact. energy: 0.323
local terms energy: -58.658436
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -7.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -92.456852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.456852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.456852 (E_RNA)
where:
Base-Base interactions energy: -40.749
where: short stacking energy: -28.887
Base-Backbone interact. energy: -0.770
local terms energy: -50.937795
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -4.069
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: 9, replica: 3
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -84.436645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.436645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.436645 (E_RNA)
where:
Base-Base interactions energy: -32.988
where: short stacking energy: -31.215
Base-Backbone interact. energy: -0.079
local terms energy: -51.369184
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -8.438
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -9.286
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: 10, replica: 6
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -116.447171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.447171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.447171 (E_RNA)
where:
Base-Base interactions energy: -75.763
where: short stacking energy: -27.907
Base-Backbone interact. energy: 2.492
local terms energy: -43.176345
where:
bonds (distance) C4'-P energy: -8.094
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -8.309
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -2.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -218.754473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.754473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.754473 (E_RNA)
where:
Base-Base interactions energy: -150.731
where: short stacking energy: -61.301
Base-Backbone interact. energy: -0.432
local terms energy: -67.590813
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -16.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -225.579524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.579524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.579524 (E_RNA)
where:
Base-Base interactions energy: -145.980
where: short stacking energy: -66.039
Base-Backbone interact. energy: -1.164
local terms energy: -78.434988
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -20.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -204.095842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.095842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.095842 (E_RNA)
where:
Base-Base interactions energy: -134.193
where: short stacking energy: -52.603
Base-Backbone interact. energy: -0.053
local terms energy: -69.850304
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -12.585
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: 4
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -196.095776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.095776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.095776 (E_RNA)
where:
Base-Base interactions energy: -144.250
where: short stacking energy: -50.588
Base-Backbone interact. energy: -0.132
local terms energy: -51.714302
where:
bonds (distance) C4'-P energy: -7.578
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -8.815
flat angles P-C4'-P energy: -4.632
tors. eta vs tors. theta energy: -13.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -150.136159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.136159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.136159 (E_RNA)
where:
Base-Base interactions energy: -96.098
where: short stacking energy: -38.014
Base-Backbone interact. energy: -0.747
local terms energy: -53.291066
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -4.223
tors. eta vs tors. theta energy: -9.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -107.965613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.965613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.965613 (E_RNA)
where:
Base-Base interactions energy: -45.590
where: short stacking energy: -35.098
Base-Backbone interact. energy: -0.085
local terms energy: -62.290424
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -8.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -96.998992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.998992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.998992 (E_RNA)
where:
Base-Base interactions energy: -39.177
where: short stacking energy: -39.177
Base-Backbone interact. energy: -0.037
local terms energy: -57.785622
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -8.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -87.479770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.479770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.479770 (E_RNA)
where:
Base-Base interactions energy: -28.802
where: short stacking energy: -28.802
Base-Backbone interact. energy: -0.743
local terms energy: -57.934408
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -8.872
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: 6
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -112.642859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.642859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.642859 (E_RNA)
where:
Base-Base interactions energy: -67.119
where: short stacking energy: -35.178
Base-Backbone interact. energy: -0.917
local terms energy: -44.606933
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -8.737
flat angles P-C4'-P energy: -5.916
tors. eta vs tors. theta energy: -6.178
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: 3
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -81.670130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.670130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.670130 (E_RNA)
where:
Base-Base interactions energy: -32.537
where: short stacking energy: -33.104
Base-Backbone interact. energy: -0.052
local terms energy: -49.080780
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -6.128
tors. eta vs tors. theta energy: -2.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -219.232807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.232807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.232807 (E_RNA)
where:
Base-Base interactions energy: -155.107
where: short stacking energy: -51.452
Base-Backbone interact. energy: -1.438
local terms energy: -62.687957
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -9.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -220.836016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.836016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.836016 (E_RNA)
where:
Base-Base interactions energy: -148.874
where: short stacking energy: -57.695
Base-Backbone interact. energy: -0.168
local terms energy: -71.793327
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -18.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -210.998292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.998292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.998292 (E_RNA)
where:
Base-Base interactions energy: -146.556
where: short stacking energy: -61.374
Base-Backbone interact. energy: -0.630
local terms energy: -63.812213
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -5.971
tors. eta vs tors. theta energy: -16.285
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: 10
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -170.608415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.608415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.608415 (E_RNA)
where:
Base-Base interactions energy: -101.424
where: short stacking energy: -51.343
Base-Backbone interact. energy: 0.184
local terms energy: -69.368694
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -11.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -177.181884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.181884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.181884 (E_RNA)
where:
Base-Base interactions energy: -115.096
where: short stacking energy: -48.644
Base-Backbone interact. energy: -0.021
local terms energy: -62.065228
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -5.196
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: 6, replica: 8
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -98.456155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.456155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.456155 (E_RNA)
where:
Base-Base interactions energy: -44.767
where: short stacking energy: -36.330
Base-Backbone interact. energy: -0.078
local terms energy: -53.611155
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -4.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -92.520144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.520144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.520144 (E_RNA)
where:
Base-Base interactions energy: -34.115
where: short stacking energy: -32.518
Base-Backbone interact. energy: -0.125
local terms energy: -58.280255
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -6.273
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: 8, replica: 6
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -123.537345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.537345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.537345 (E_RNA)
where:
Base-Base interactions energy: -74.930
where: short stacking energy: -37.571
Base-Backbone interact. energy: -0.120
local terms energy: -48.486845
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -10.433
flat angles P-C4'-P energy: -9.951
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: 9
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -84.886800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.886800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.886800 (E_RNA)
where:
Base-Base interactions energy: -24.640
where: short stacking energy: -17.848
Base-Backbone interact. energy: -0.239
local terms energy: -60.007940
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -1.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -74.852014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.852014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.852014 (E_RNA)
where:
Base-Base interactions energy: -29.912
where: short stacking energy: -23.660
Base-Backbone interact. energy: -0.161
local terms energy: -44.779483
where:
bonds (distance) C4'-P energy: -10.551
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -8.621
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -2.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -214.652396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.652396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.652396 (E_RNA)
where:
Base-Base interactions energy: -149.681
where: short stacking energy: -59.938
Base-Backbone interact. energy: -0.215
local terms energy: -64.756613
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -13.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -220.193248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.193248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.193248 (E_RNA)
where:
Base-Base interactions energy: -145.588
where: short stacking energy: -67.615
Base-Backbone interact. energy: -0.328
local terms energy: -74.277552
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -10.692
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -20.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -216.046524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.046524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.046524 (E_RNA)
where:
Base-Base interactions energy: -136.480
where: short stacking energy: -66.132
Base-Backbone interact. energy: -0.323
local terms energy: -79.244132
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -20.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -154.326470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.326470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.326470 (E_RNA)
where:
Base-Base interactions energy: -97.084
where: short stacking energy: -41.135
Base-Backbone interact. energy: -1.411
local terms energy: -55.831996
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -9.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -102.171481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.171481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.171481 (E_RNA)
where:
Base-Base interactions energy: -39.518
where: short stacking energy: -39.518
Base-Backbone interact. energy: -0.127
local terms energy: -62.526555
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -9.395
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -10.601
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: 6, replica: 4
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -114.923219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.923219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.923219 (E_RNA)
where:
Base-Base interactions energy: -57.020
where: short stacking energy: -35.857
Base-Backbone interact. energy: -0.320
local terms energy: -57.583891
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: -6.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -156.632060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.632060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.632060 (E_RNA)
where:
Base-Base interactions energy: -104.025
where: short stacking energy: -46.674
Base-Backbone interact. energy: -1.112
local terms energy: -51.495637
where:
bonds (distance) C4'-P energy: -9.147
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -5.111
tors. eta vs tors. theta energy: -6.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -96.700825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.700825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.700825 (E_RNA)
where:
Base-Base interactions energy: -52.879
where: short stacking energy: -28.473
Base-Backbone interact. energy: 2.008
local terms energy: -45.830484
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: 2.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -93.542976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.542976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.542976 (E_RNA)
where:
Base-Base interactions energy: -43.914
where: short stacking energy: -23.670
Base-Backbone interact. energy: -1.360
local terms energy: -48.268893
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -9.255
flat angles P-C4'-P energy: -10.543
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: 10, replica: 9
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -76.360144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.360144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.360144 (E_RNA)
where:
Base-Base interactions energy: -25.883
where: short stacking energy: -25.883
Base-Backbone interact. energy: -0.112
local terms energy: -50.365520
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -1.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -226.757702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.757702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.757702 (E_RNA)
where:
Base-Base interactions energy: -157.573
where: short stacking energy: -63.322
Base-Backbone interact. energy: 0.813
local terms energy: -69.997953
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -16.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -214.591916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.591916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.591916 (E_RNA)
where:
Base-Base interactions energy: -142.559
where: short stacking energy: -58.756
Base-Backbone interact. energy: -0.001
local terms energy: -72.032658
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -20.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -215.620154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.620154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.620154 (E_RNA)
where:
Base-Base interactions energy: -141.184
where: short stacking energy: -62.071
Base-Backbone interact. energy: -0.267
local terms energy: -74.169328
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -20.212
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: 10
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -158.747358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.747358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.747358 (E_RNA)
where:
Base-Base interactions energy: -92.074
where: short stacking energy: -44.945
Base-Backbone interact. energy: -0.001
local terms energy: -66.672735
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -9.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -111.507212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.507212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.507212 (E_RNA)
where:
Base-Base interactions energy: -54.271
where: short stacking energy: -44.241
Base-Backbone interact. energy: -0.104
local terms energy: -57.132253
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -4.147
tors. eta vs tors. theta energy: -11.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -135.078389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.078389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.078389 (E_RNA)
where:
Base-Base interactions energy: -79.954
where: short stacking energy: -40.463
Base-Backbone interact. energy: -0.076
local terms energy: -55.048218
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -8.853
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: 4
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -106.385424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.385424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.385424 (E_RNA)
where:
Base-Base interactions energy: -55.172
where: short stacking energy: -34.586
Base-Backbone interact. energy: -0.123
local terms energy: -51.090709
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -5.701
tors. eta vs tors. theta energy: -0.232
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: 8, replica: 3
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -88.888617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.888617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.888617 (E_RNA)
where:
Base-Base interactions energy: -39.949
where: short stacking energy: -25.755
Base-Backbone interact. energy: -0.109
local terms energy: -48.830595
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -10.239
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -5.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -98.793901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.793901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.793901 (E_RNA)
where:
Base-Base interactions energy: -44.087
where: short stacking energy: -41.254
Base-Backbone interact. energy: -0.962
local terms energy: -53.744399
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -8.870
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -5.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -84.168684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.168684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.168684 (E_RNA)
where:
Base-Base interactions energy: -31.278
where: short stacking energy: -30.590
Base-Backbone interact. energy: -0.757
local terms energy: -52.133695
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -2.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -224.690398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.690398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.690398 (E_RNA)
where:
Base-Base interactions energy: -152.190
where: short stacking energy: -63.026
Base-Backbone interact. energy: -0.138
local terms energy: -72.362423
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -7.746
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: 2, replica: 7
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -220.572591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.572591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.572591 (E_RNA)
where:
Base-Base interactions energy: -141.978
where: short stacking energy: -63.543
Base-Backbone interact. energy: 0.285
local terms energy: -78.879996
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -22.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -219.162909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.162909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.162909 (E_RNA)
where:
Base-Base interactions energy: -145.022
where: short stacking energy: -65.938
Base-Backbone interact. energy: -0.015
local terms energy: -74.125707
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -8.430
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: 4, replica: 10
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -176.898975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.898975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.898975 (E_RNA)
where:
Base-Base interactions energy: -111.047
where: short stacking energy: -52.021
Base-Backbone interact. energy: -1.376
local terms energy: -64.475668
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -5.961
tors. eta vs tors. theta energy: -12.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -168.255741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.255741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.255741 (E_RNA)
where:
Base-Base interactions energy: -108.319
where: short stacking energy: -49.659
Base-Backbone interact. energy: -0.374
local terms energy: -59.562718
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -4.125
tors. eta vs tors. theta energy: -13.874
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: 8
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -105.355555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.355555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.355555 (E_RNA)
where:
Base-Base interactions energy: -62.082
where: short stacking energy: -31.540
Base-Backbone interact. energy: -0.228
local terms energy: -43.045406
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -10.475
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -2.021
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: 3
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -92.208877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.208877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.208877 (E_RNA)
where:
Base-Base interactions energy: -40.444
where: short stacking energy: -34.471
Base-Backbone interact. energy: -0.153
local terms energy: -51.611874
where:
bonds (distance) C4'-P energy: -9.101
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -4.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -92.657399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.657399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.657399 (E_RNA)
where:
Base-Base interactions energy: -40.318
where: short stacking energy: -34.629
Base-Backbone interact. energy: 0.313
local terms energy: -52.652214
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -7.770
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: 9
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -79.632073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.632073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.632073 (E_RNA)
where:
Base-Base interactions energy: -30.670
where: short stacking energy: -29.935
Base-Backbone interact. energy: -0.177
local terms energy: -48.784571
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -9.010
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -5.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -87.582289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.582289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.582289 (E_RNA)
where:
Base-Base interactions energy: -29.432
where: short stacking energy: -28.051
Base-Backbone interact. energy: -0.002
local terms energy: -58.148210
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -5.631
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: 5
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -217.118741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.118741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.118741 (E_RNA)
where:
Base-Base interactions energy: -148.676
where: short stacking energy: -50.550
Base-Backbone interact. energy: -2.682
local terms energy: -65.761372
where:
bonds (distance) C4'-P energy: -10.473
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -13.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -218.114949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.114949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.114949 (E_RNA)
where:
Base-Base interactions energy: -139.227
where: short stacking energy: -63.698
Base-Backbone interact. energy: -0.047
local terms energy: -78.840979
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -9.974
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: 7
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -219.769697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.769697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.769697 (E_RNA)
where:
Base-Base interactions energy: -141.354
where: short stacking energy: -72.330
Base-Backbone interact. energy: -1.396
local terms energy: -77.019390
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -20.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -199.654127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.654127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.654127 (E_RNA)
where:
Base-Base interactions energy: -119.674
where: short stacking energy: -72.025
Base-Backbone interact. energy: -0.092
local terms energy: -79.888373
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -20.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -170.716629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.716629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.716629 (E_RNA)
where:
Base-Base interactions energy: -101.646
where: short stacking energy: -50.609
Base-Backbone interact. energy: -1.984
local terms energy: -67.086908
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -14.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -111.008688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.008688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.008688 (E_RNA)
where:
Base-Base interactions energy: -51.426
where: short stacking energy: -23.968
Base-Backbone interact. energy: -1.173
local terms energy: -58.409797
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -3.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -99.526812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.526812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.526812 (E_RNA)
where:
Base-Base interactions energy: -42.943
where: short stacking energy: -37.437
Base-Backbone interact. energy: 0.293
local terms energy: -56.876671
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -11.977
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -8.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -92.931058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.931058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.931058 (E_RNA)
where:
Base-Base interactions energy: -41.804
where: short stacking energy: -27.814
Base-Backbone interact. energy: -0.153
local terms energy: -50.974239
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -2.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -82.307215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.307215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.307215 (E_RNA)
where:
Base-Base interactions energy: -37.964
where: short stacking energy: -23.847
Base-Backbone interact. energy: -0.209
local terms energy: -44.134702
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -14.291
flat angles C4'-P-C4' energy: -9.919
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -0.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -71.748542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.748542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.748542 (E_RNA)
where:
Base-Base interactions energy: -24.796
where: short stacking energy: -17.274
Base-Backbone interact. energy: -0.093
local terms energy: -46.859457
where:
bonds (distance) C4'-P energy: -11.392
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -5.463
tors. eta vs tors. theta energy: -0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -230.599986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.599986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.599986 (E_RNA)
where:
Base-Base interactions energy: -146.830
where: short stacking energy: -70.851
Base-Backbone interact. energy: -0.691
local terms energy: -83.079490
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -22.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -216.584652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.584652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.584652 (E_RNA)
where:
Base-Base interactions energy: -145.836
where: short stacking energy: -60.627
Base-Backbone interact. energy: -0.277
local terms energy: -70.471874
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -14.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -216.938233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.938233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.938233 (E_RNA)
where:
Base-Base interactions energy: -146.104
where: short stacking energy: -64.112
Base-Backbone interact. energy: -1.046
local terms energy: -69.788294
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -11.501
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -17.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -192.393897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.393897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.393897 (E_RNA)
where:
Base-Base interactions energy: -119.213
where: short stacking energy: -60.159
Base-Backbone interact. energy: -0.167
local terms energy: -73.014652
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -17.615
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: 8
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -111.493908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.493908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.493908 (E_RNA)
where:
Base-Base interactions energy: -52.373
where: short stacking energy: -51.532
Base-Backbone interact. energy: -0.009
local terms energy: -59.111483
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -12.379
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -3.118
tors. eta vs tors. theta energy: -13.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -165.093700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.093700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.093700 (E_RNA)
where:
Base-Base interactions energy: -105.043
where: short stacking energy: -48.702
Base-Backbone interact. energy: -0.017
local terms energy: -60.033111
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -5.746
tors. eta vs tors. theta energy: -11.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -84.654282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.654282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.654282 (E_RNA)
where:
Base-Base interactions energy: -32.395
where: short stacking energy: -32.268
Base-Backbone interact. energy: 0.347
local terms energy: -52.606016
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -1.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -83.637775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.637775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.637775 (E_RNA)
where:
Base-Base interactions energy: -37.962
where: short stacking energy: -37.234
Base-Backbone interact. energy: -0.448
local terms energy: -45.227733
where:
bonds (distance) C4'-P energy: -3.530
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -5.387
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: 2
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -89.849006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.849006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.849006 (E_RNA)
where:
Base-Base interactions energy: -40.665
where: short stacking energy: -29.408
Base-Backbone interact. energy: -1.109
local terms energy: -48.075087
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -10.258
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -1.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -69.646683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.646683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.646683 (E_RNA)
where:
Base-Base interactions energy: -32.146
where: short stacking energy: -27.191
Base-Backbone interact. energy: -0.455
local terms energy: -37.044906
where:
bonds (distance) C4'-P energy: -9.471
bonds (distance) P-C4' energy: -9.024
flat angles C4'-P-C4' energy: -10.748
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -0.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -228.732968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.732968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.732968 (E_RNA)
where:
Base-Base interactions energy: -148.247
where: short stacking energy: -78.558
Base-Backbone interact. energy: -0.011
local terms energy: -80.474778
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -22.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -222.617182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.617182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.617182 (E_RNA)
where:
Base-Base interactions energy: -149.968
where: short stacking energy: -60.111
Base-Backbone interact. energy: -0.246
local terms energy: -72.403217
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -17.633
flat angles C4'-P-C4' energy: -18.922
flat angles P-C4'-P energy: -5.356
tors. eta vs tors. theta energy: -17.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -215.640289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.640289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.640289 (E_RNA)
where:
Base-Base interactions energy: -144.835
where: short stacking energy: -55.474
Base-Backbone interact. energy: 0.867
local terms energy: -71.672124
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -18.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -178.545006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.545006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.545006 (E_RNA)
where:
Base-Base interactions energy: -113.472
where: short stacking energy: -60.965
Base-Backbone interact. energy: -0.006
local terms energy: -65.067482
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -9.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -115.975223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.975223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.975223 (E_RNA)
where:
Base-Base interactions energy: -64.049
where: short stacking energy: -37.354
Base-Backbone interact. energy: -0.169
local terms energy: -51.757492
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -8.257
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -8.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -153.990776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.990776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.990776 (E_RNA)
where:
Base-Base interactions energy: -95.299
where: short stacking energy: -47.974
Base-Backbone interact. energy: -0.291
local terms energy: -58.400921
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -10.210
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -7.869
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: 7, replica: 9
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -101.314033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.314033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.314033 (E_RNA)
where:
Base-Base interactions energy: -50.454
where: short stacking energy: -39.606
Base-Backbone interact. energy: -0.545
local terms energy: -50.314808
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -10.243
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -7.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -94.627100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.627100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.627100 (E_RNA)
where:
Base-Base interactions energy: -57.634
where: short stacking energy: -30.861
Base-Backbone interact. energy: -0.560
local terms energy: -36.432795
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -10.650
flat angles C4'-P-C4' energy: -7.639
flat angles P-C4'-P energy: -7.551
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: 9, replica: 3
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -97.778970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.778970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.778970 (E_RNA)
where:
Base-Base interactions energy: -43.343
where: short stacking energy: -31.282
Base-Backbone interact. energy: -0.027
local terms energy: -54.408332
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -3.260
tors. eta vs tors. theta energy: -9.993
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: 4
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -85.472373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.472373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.472373 (E_RNA)
where:
Base-Base interactions energy: -33.254
where: short stacking energy: -33.254
Base-Backbone interact. energy: -0.025
local terms energy: -52.193296
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -5.739
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: 1, replica: 5
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -225.687507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.687507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.687507 (E_RNA)
where:
Base-Base interactions energy: -157.906
where: short stacking energy: -69.479
Base-Backbone interact. energy: -0.625
local terms energy: -67.157079
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -16.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -215.834058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.834058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.834058 (E_RNA)
where:
Base-Base interactions energy: -144.538
where: short stacking energy: -74.981
Base-Backbone interact. energy: -0.013
local terms energy: -71.282808
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -18.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -219.130490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.130490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.130490 (E_RNA)
where:
Base-Base interactions energy: -143.089
where: short stacking energy: -69.290
Base-Backbone interact. energy: -0.826
local terms energy: -75.215525
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -11.437
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: 4, replica: 6
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -171.397668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.397668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.397668 (E_RNA)
where:
Base-Base interactions energy: -99.439
where: short stacking energy: -55.580
Base-Backbone interact. energy: 1.004
local terms energy: -72.962899
where:
bonds (distance) C4'-P energy: -10.780
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -12.283
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: 5, replica: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -174.774301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.774301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.774301 (E_RNA)
where:
Base-Base interactions energy: -102.782
where: short stacking energy: -46.145
Base-Backbone interact. energy: -0.651
local terms energy: -71.341687
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -12.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -120.518654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.518654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.518654 (E_RNA)
where:
Base-Base interactions energy: -61.173
where: short stacking energy: -39.859
Base-Backbone interact. energy: -1.536
local terms energy: -57.810395
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -8.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -93.625109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.625109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.625109 (E_RNA)
where:
Base-Base interactions energy: -37.603
where: short stacking energy: -26.322
Base-Backbone interact. energy: -0.424
local terms energy: -55.597860
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -2.579
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: 9
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -80.891637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.891637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.891637 (E_RNA)
where:
Base-Base interactions energy: -30.358
where: short stacking energy: -24.222
Base-Backbone interact. energy: -0.110
local terms energy: -50.423489
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -0.896
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: 9, replica: 3
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -79.116395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.116395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.116395 (E_RNA)
where:
Base-Base interactions energy: -34.867
where: short stacking energy: -21.966
Base-Backbone interact. energy: -0.111
local terms energy: -44.138461
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -9.163
flat angles C4'-P-C4' energy: -11.048
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -1.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -76.105760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.105760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.105760 (E_RNA)
where:
Base-Base interactions energy: -28.961
where: short stacking energy: -28.961
Base-Backbone interact. energy: -0.356
local terms energy: -46.788635
where:
bonds (distance) C4'-P energy: -10.667
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -6.754
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -1.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -227.694213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.694213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.694213 (E_RNA)
where:
Base-Base interactions energy: -156.210
where: short stacking energy: -65.271
Base-Backbone interact. energy: -1.376
local terms energy: -70.108266
where:
bonds (distance) C4'-P energy: -8.682
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -17.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -217.816726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.816726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.816726 (E_RNA)
where:
Base-Base interactions energy: -147.372
where: short stacking energy: -65.954
Base-Backbone interact. energy: -0.005
local terms energy: -70.440135
where:
bonds (distance) C4'-P energy: -10.146
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -9.219
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: 3, replica: 7
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -219.244285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.244285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.244285 (E_RNA)
where:
Base-Base interactions energy: -141.533
where: short stacking energy: -60.659
Base-Backbone interact. energy: -0.148
local terms energy: -77.562984
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -11.980
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -22.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -181.870257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.870257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.870257 (E_RNA)
where:
Base-Base interactions energy: -122.967
where: short stacking energy: -62.980
Base-Backbone interact. energy: -0.076
local terms energy: -58.826400
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -13.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -163.869742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.869742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.869742 (E_RNA)
where:
Base-Base interactions energy: -105.712
where: short stacking energy: -58.631
Base-Backbone interact. energy: -0.024
local terms energy: -58.133802
where:
bonds (distance) C4'-P energy: -9.076
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -12.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -145.291254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.291254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.291254 (E_RNA)
where:
Base-Base interactions energy: -98.285
where: short stacking energy: -38.581
Base-Backbone interact. energy: -0.074
local terms energy: -46.932866
where:
bonds (distance) C4'-P energy: -9.560
bonds (distance) P-C4' energy: -10.313
flat angles C4'-P-C4' energy: -9.282
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -7.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -102.152416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.152416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.152416 (E_RNA)
where:
Base-Base interactions energy: -49.235
where: short stacking energy: -30.511
Base-Backbone interact. energy: -0.505
local terms energy: -52.412607
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -10.760
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -3.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -103.622823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.622823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.622823 (E_RNA)
where:
Base-Base interactions energy: -49.363
where: short stacking energy: -31.381
Base-Backbone interact. energy: -0.110
local terms energy: -54.149842
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -10.005
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -5.749
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: 3
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -83.895664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.895664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.895664 (E_RNA)
where:
Base-Base interactions energy: -36.301
where: short stacking energy: -29.920
Base-Backbone interact. energy: -0.372
local terms energy: -47.222764
where:
bonds (distance) C4'-P energy: -10.084
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -4.759
tors. eta vs tors. theta energy: -5.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -82.538322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.538322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.538322 (E_RNA)
where:
Base-Base interactions energy: -28.945
where: short stacking energy: -24.997
Base-Backbone interact. energy: 0.970
local terms energy: -54.563416
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -3.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -222.633825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.633825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.633825 (E_RNA)
where:
Base-Base interactions energy: -150.900
where: short stacking energy: -64.469
Base-Backbone interact. energy: -0.177
local terms energy: -71.557206
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -9.563
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: 2, replica: 5
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -220.395299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.395299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.395299 (E_RNA)
where:
Base-Base interactions energy: -149.144
where: short stacking energy: -57.055
Base-Backbone interact. energy: -0.389
local terms energy: -70.862997
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -11.593
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -7.764
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: 3, replica: 7
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -210.882772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.882772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.882772 (E_RNA)
where:
Base-Base interactions energy: -142.560
where: short stacking energy: -71.281
Base-Backbone interact. energy: -0.095
local terms energy: -68.227945
where:
bonds (distance) C4'-P energy: -10.137
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -20.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -177.538299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.538299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.538299 (E_RNA)
where:
Base-Base interactions energy: -106.866
where: short stacking energy: -50.936
Base-Backbone interact. energy: -2.058
local terms energy: -68.614314
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -17.739
flat angles P-C4'-P energy: -10.155
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: 5, replica: 8
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -190.280729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.280729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.280729 (E_RNA)
where:
Base-Base interactions energy: -125.757
where: short stacking energy: -56.410
Base-Backbone interact. energy: -0.062
local terms energy: -64.461654
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -9.693
flat angles C4'-P-C4' energy: -11.537
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -160.912353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.912353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.912353 (E_RNA)
where:
Base-Base interactions energy: -92.585
where: short stacking energy: -44.980
Base-Backbone interact. energy: 0.610
local terms energy: -68.937268
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -10.137
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: 398
Temperature: 1.200000
Total energy: -141.769291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.769291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.769291 (E_RNA)
where:
Base-Base interactions energy: -87.374
where: short stacking energy: -47.550
Base-Backbone interact. energy: -0.214
local terms energy: -54.180373
where:
bonds (distance) C4'-P energy: -10.779
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -10.026
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: 2
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -75.027912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.027912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.027912 (E_RNA)
where:
Base-Base interactions energy: -29.565
where: short stacking energy: -22.686
Base-Backbone interact. energy: -0.228
local terms energy: -45.234708
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: 1.968
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: 9, replica: 3
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -74.217515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.217515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.217515 (E_RNA)
where:
Base-Base interactions energy: -19.563
where: short stacking energy: -14.219
Base-Backbone interact. energy: 0.304
local terms energy: -54.958572
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: 3.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -74.244330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.244330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.244330 (E_RNA)
where:
Base-Base interactions energy: -21.704
where: short stacking energy: -21.704
Base-Backbone interact. energy: -0.111
local terms energy: -52.428648
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -11.775
flat angles P-C4'-P energy: -8.534
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: 1
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -222.833364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.833364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.833364 (E_RNA)
where:
Base-Base interactions energy: -143.340
where: short stacking energy: -72.073
Base-Backbone interact. energy: -0.002
local terms energy: -79.491534
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -12.892
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: 399
Temperature: 0.950000
Total energy: -208.366256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.366256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.366256 (E_RNA)
where:
Base-Base interactions energy: -137.260
where: short stacking energy: -54.202
Base-Backbone interact. energy: -0.677
local terms energy: -70.429378
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -13.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -218.378776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.378776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.378776 (E_RNA)
where:
Base-Base interactions energy: -142.194
where: short stacking energy: -62.744
Base-Backbone interact. energy: -0.056
local terms energy: -76.129140
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -18.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -216.286774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.286774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.286774 (E_RNA)
where:
Base-Base interactions energy: -141.763
where: short stacking energy: -65.474
Base-Backbone interact. energy: -1.438
local terms energy: -73.085231
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -20.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -177.978083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.978083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.978083 (E_RNA)
where:
Base-Base interactions energy: -112.377
where: short stacking energy: -61.197
Base-Backbone interact. energy: -0.020
local terms energy: -65.580609
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -13.192
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -16.658
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: 6
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -162.217423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.217423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.217423 (E_RNA)
where:
Base-Base interactions energy: -97.146
where: short stacking energy: -56.847
Base-Backbone interact. energy: 0.959
local terms energy: -66.030566
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -5.657
tors. eta vs tors. theta energy: -14.809
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: 7, replica: 9
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -126.961924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.961924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.961924 (E_RNA)
where:
Base-Base interactions energy: -73.284
where: short stacking energy: -34.916
Base-Backbone interact. energy: 2.917
local terms energy: -56.594312
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -4.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -83.768458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.768458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.768458 (E_RNA)
where:
Base-Base interactions energy: -32.787
where: short stacking energy: -27.171
Base-Backbone interact. energy: -0.278
local terms energy: -50.703892
where:
bonds (distance) C4'-P energy: -10.602
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -0.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -83.389022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.389022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.389022 (E_RNA)
where:
Base-Base interactions energy: -35.691
where: short stacking energy: -33.083
Base-Backbone interact. energy: -0.364
local terms energy: -47.334169
where:
bonds (distance) C4'-P energy: -7.313
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -8.676
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: 10, replica: 4
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -85.059745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.059745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.059745 (E_RNA)
where:
Base-Base interactions energy: -40.940
where: short stacking energy: -31.326
Base-Backbone interact. energy: -0.169
local terms energy: -43.951385
where:
bonds (distance) C4'-P energy: -10.070
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -4.738
tors. eta vs tors. theta energy: -2.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -223.332388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.332388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.332388 (E_RNA)
where:
Base-Base interactions energy: -147.910
where: short stacking energy: -74.867
Base-Backbone interact. energy: -0.012
local terms energy: -75.410973
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -20.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -223.718618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.718618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.718618 (E_RNA)
where:
Base-Base interactions energy: -148.657
where: short stacking energy: -77.413
Base-Backbone interact. energy: -0.002
local terms energy: -75.060477
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -18.484
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -18.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -222.461997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.461997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.461997 (E_RNA)
where:
Base-Base interactions energy: -142.885
where: short stacking energy: -67.265
Base-Backbone interact. energy: -0.588
local terms energy: -78.989119
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -14.297
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: 4, replica: 8
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -209.362334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.362334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.362334 (E_RNA)
where:
Base-Base interactions energy: -129.162
where: short stacking energy: -60.729
Base-Backbone interact. energy: -1.727
local terms energy: -78.473017
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -19.370
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: 10
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -173.430745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.430745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.430745 (E_RNA)
where:
Base-Base interactions energy: -112.407
where: short stacking energy: -59.619
Base-Backbone interact. energy: -0.823
local terms energy: -60.201249
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -4.998
tors. eta vs tors. theta energy: -15.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -144.729589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.729589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.729589 (E_RNA)
where:
Base-Base interactions energy: -84.344
where: short stacking energy: -53.044
Base-Backbone interact. energy: 0.496
local terms energy: -60.881475
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -7.939
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -13.872
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: 9
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -136.492528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.492528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.492528 (E_RNA)
where:
Base-Base interactions energy: -91.116
where: short stacking energy: -41.375
Base-Backbone interact. energy: 3.820
local terms energy: -49.196605
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -10.310
flat angles C4'-P-C4' energy: -9.316
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -5.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -111.869701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.869701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.869701 (E_RNA)
where:
Base-Base interactions energy: -62.802
where: short stacking energy: -26.909
Base-Backbone interact. energy: -0.162
local terms energy: -48.904903
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -10.162
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: 0.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -78.697333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.697333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.697333 (E_RNA)
where:
Base-Base interactions energy: -21.464
where: short stacking energy: -20.825
Base-Backbone interact. energy: 0.189
local terms energy: -57.422716
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -7.530
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: 2
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -84.358902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.358902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.358902 (E_RNA)
where:
Base-Base interactions energy: -35.121
where: short stacking energy: -25.469
Base-Backbone interact. energy: -0.254
local terms energy: -48.983693
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -2.108
tors. eta vs tors. theta energy: -2.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -218.795128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.795128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.795128 (E_RNA)
where:
Base-Base interactions energy: -138.680
where: short stacking energy: -63.548
Base-Backbone interact. energy: -1.202
local terms energy: -78.913803
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -17.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -224.454104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.454104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.454104 (E_RNA)
where:
Base-Base interactions energy: -146.821
where: short stacking energy: -71.587
Base-Backbone interact. energy: -0.373
local terms energy: -77.259556
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -20.071
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: 3, replica: 1
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -211.653747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.653747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.653747 (E_RNA)
where:
Base-Base interactions energy: -138.854
where: short stacking energy: -65.272
Base-Backbone interact. energy: -0.028
local terms energy: -72.771467
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -19.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -205.437867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.437867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.437867 (E_RNA)
where:
Base-Base interactions energy: -143.967
where: short stacking energy: -56.207
Base-Backbone interact. energy: -0.051
local terms energy: -61.419915
where:
bonds (distance) C4'-P energy: -9.660
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -1.980
tors. eta vs tors. theta energy: -16.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -171.129212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.129212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.129212 (E_RNA)
where:
Base-Base interactions energy: -101.842
where: short stacking energy: -58.776
Base-Backbone interact. energy: -0.321
local terms energy: -68.966383
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -16.494
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: 6, replica: 6
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -141.060831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.060831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.060831 (E_RNA)
where:
Base-Base interactions energy: -94.060
where: short stacking energy: -35.617
Base-Backbone interact. energy: -0.119
local terms energy: -46.881730
where:
bonds (distance) C4'-P energy: -8.477
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -2.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -162.364324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.364324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.364324 (E_RNA)
where:
Base-Base interactions energy: -106.774
where: short stacking energy: -55.234
Base-Backbone interact. energy: -0.775
local terms energy: -54.815714
where:
bonds (distance) C4'-P energy: -7.467
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -10.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -84.828278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.828278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.828278 (E_RNA)
where:
Base-Base interactions energy: -33.451
where: short stacking energy: -33.451
Base-Backbone interact. energy: -0.053
local terms energy: -51.324311
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -9.608
flat angles P-C4'-P energy: -5.100
tors. eta vs tors. theta energy: -7.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -93.505941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.505941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.505941 (E_RNA)
where:
Base-Base interactions energy: -37.145
where: short stacking energy: -25.675
Base-Backbone interact. energy: 0.435
local terms energy: -56.795724
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: -6.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -71.707192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.707192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.707192 (E_RNA)
where:
Base-Base interactions energy: -27.670
where: short stacking energy: -15.782
Base-Backbone interact. energy: -0.042
local terms energy: -43.994803
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -10.480
flat angles P-C4'-P energy: -11.020
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: 5
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -217.247659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.247659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.247659 (E_RNA)
where:
Base-Base interactions energy: -143.104
where: short stacking energy: -56.210
Base-Backbone interact. energy: 0.045
local terms energy: -74.188468
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -13.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -218.510241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.510241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.510241 (E_RNA)
where:
Base-Base interactions energy: -142.086
where: short stacking energy: -76.019
Base-Backbone interact. energy: -0.011
local terms energy: -76.412422
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -10.512
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: 8
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -200.513533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.513533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.513533 (E_RNA)
where:
Base-Base interactions energy: -129.478
where: short stacking energy: -55.098
Base-Backbone interact. energy: -1.089
local terms energy: -69.946314
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -8.283
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: 4, replica: 1
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -206.523394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.523394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.523394 (E_RNA)
where:
Base-Base interactions energy: -129.768
where: short stacking energy: -67.296
Base-Backbone interact. energy: -0.025
local terms energy: -76.730250
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -18.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -173.934519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.934519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.934519 (E_RNA)
where:
Base-Base interactions energy: -107.828
where: short stacking energy: -56.192
Base-Backbone interact. energy: -0.078
local terms energy: -66.028129
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -13.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -139.548233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.548233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.548233 (E_RNA)
where:
Base-Base interactions energy: -85.556
where: short stacking energy: -38.985
Base-Backbone interact. energy: -0.519
local terms energy: -53.472795
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -5.718
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: 7, replica: 9
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -148.064308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.064308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.064308 (E_RNA)
where:
Base-Base interactions energy: -84.821
where: short stacking energy: -41.435
Base-Backbone interact. energy: -0.161
local terms energy: -63.082688
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -16.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -92.240756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.240756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.240756 (E_RNA)
where:
Base-Base interactions energy: -43.902
where: short stacking energy: -23.312
Base-Backbone interact. energy: -0.153
local terms energy: -48.185887
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -9.715
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -1.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -70.414643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.414643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.414643 (E_RNA)
where:
Base-Base interactions energy: -23.479
where: short stacking energy: -22.354
Base-Backbone interact. energy: 0.509
local terms energy: -47.444658
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -8.682
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -1.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -79.157832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.157832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.157832 (E_RNA)
where:
Base-Base interactions energy: -25.792
where: short stacking energy: -25.792
Base-Backbone interact. energy: -0.061
local terms energy: -53.305414
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -6.495
tors. eta vs tors. theta energy: -1.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -222.632696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.632696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.632696 (E_RNA)
where:
Base-Base interactions energy: -151.668
where: short stacking energy: -53.132
Base-Backbone interact. energy: -0.977
local terms energy: -69.988435
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -12.496
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: 2, replica: 8
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -214.598357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.598357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.598357 (E_RNA)
where:
Base-Base interactions energy: -146.357
where: short stacking energy: -60.088
Base-Backbone interact. energy: -0.439
local terms energy: -67.803139
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -4.606
tors. eta vs tors. theta energy: -18.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -211.734609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.734609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.734609 (E_RNA)
where:
Base-Base interactions energy: -138.609
where: short stacking energy: -59.673
Base-Backbone interact. energy: -0.842
local terms energy: -72.283488
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -16.550
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: 1
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -204.612816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.612816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.612816 (E_RNA)
where:
Base-Base interactions energy: -126.454
where: short stacking energy: -53.912
Base-Backbone interact. energy: -0.041
local terms energy: -78.117542
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -11.310
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: 10
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -181.309187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.309187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.309187 (E_RNA)
where:
Base-Base interactions energy: -112.356
where: short stacking energy: -54.820
Base-Backbone interact. energy: 0.067
local terms energy: -69.020203
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -7.679
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: 9
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -163.602648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.602648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.602648 (E_RNA)
where:
Base-Base interactions energy: -105.869
where: short stacking energy: -46.617
Base-Backbone interact. energy: -0.285
local terms energy: -57.448733
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -4.782
tors. eta vs tors. theta energy: -11.716
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: 6
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -149.911503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.911503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.911503 (E_RNA)
where:
Base-Base interactions energy: -78.151
where: short stacking energy: -49.099
Base-Backbone interact. energy: 0.354
local terms energy: -72.114421
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -14.673
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: 403
Temperature: 1.250000
Total energy: -89.958450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.958450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.958450 (E_RNA)
where:
Base-Base interactions energy: -32.516
where: short stacking energy: -32.516
Base-Backbone interact. energy: 0.749
local terms energy: -58.191619
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -6.118
tors. eta vs tors. theta energy: -8.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -85.964672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.964672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.964672 (E_RNA)
where:
Base-Base interactions energy: -37.133
where: short stacking energy: -32.326
Base-Backbone interact. energy: 0.115
local terms energy: -48.946699
where:
bonds (distance) C4'-P energy: -10.404
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -3.363
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: 10, replica: 3
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -89.180257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.180257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.180257 (E_RNA)
where:
Base-Base interactions energy: -32.932
where: short stacking energy: -31.087
Base-Backbone interact. energy: -0.398
local terms energy: -55.850903
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -7.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -212.978252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.978252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.978252 (E_RNA)
where:
Base-Base interactions energy: -140.639
where: short stacking energy: -62.673
Base-Backbone interact. energy: -0.044
local terms energy: -72.295026
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -16.133
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: 404
Temperature: 0.950000
Total energy: -225.331085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.331085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.331085 (E_RNA)
where:
Base-Base interactions energy: -155.459
where: short stacking energy: -56.919
Base-Backbone interact. energy: -0.074
local terms energy: -69.797459
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -13.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -204.272950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.272950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.272950 (E_RNA)
where:
Base-Base interactions energy: -135.418
where: short stacking energy: -67.406
Base-Backbone interact. energy: -0.253
local terms energy: -68.601497
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -12.018
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -16.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -212.420207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.420207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.420207 (E_RNA)
where:
Base-Base interactions energy: -141.291
where: short stacking energy: -74.149
Base-Backbone interact. energy: -0.002
local terms energy: -71.127508
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -17.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -175.526965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.526965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.526965 (E_RNA)
where:
Base-Base interactions energy: -101.863
where: short stacking energy: -59.712
Base-Backbone interact. energy: -0.004
local terms energy: -73.660546
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -19.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -158.266980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.266980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.266980 (E_RNA)
where:
Base-Base interactions energy: -102.542
where: short stacking energy: -48.073
Base-Backbone interact. energy: -0.896
local terms energy: -54.829074
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -9.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -145.365552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.365552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.365552 (E_RNA)
where:
Base-Base interactions energy: -86.753
where: short stacking energy: -49.289
Base-Backbone interact. energy: -0.142
local terms energy: -58.471049
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -9.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -88.445653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.445653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.445653 (E_RNA)
where:
Base-Base interactions energy: -30.777
where: short stacking energy: -29.599
Base-Backbone interact. energy: -0.120
local terms energy: -57.548784
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -2.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -80.113981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.113981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.113981 (E_RNA)
where:
Base-Base interactions energy: -30.163
where: short stacking energy: -30.092
Base-Backbone interact. energy: -0.116
local terms energy: -49.835422
where:
bonds (distance) C4'-P energy: -9.785
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -4.148
tors. eta vs tors. theta energy: -6.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -85.924580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.924580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.924580 (E_RNA)
where:
Base-Base interactions energy: -37.059
where: short stacking energy: -37.059
Base-Backbone interact. energy: -0.013
local terms energy: -48.852240
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: 0.732
tors. eta vs tors. theta energy: -12.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -220.948993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.948993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.948993 (E_RNA)
where:
Base-Base interactions energy: -147.503
where: short stacking energy: -63.245
Base-Backbone interact. energy: -0.618
local terms energy: -72.828487
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -17.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -213.993347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.993347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.993347 (E_RNA)
where:
Base-Base interactions energy: -138.333
where: short stacking energy: -68.736
Base-Backbone interact. energy: -0.010
local terms energy: -75.650042
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -19.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -213.340613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.340613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.340613 (E_RNA)
where:
Base-Base interactions energy: -133.340
where: short stacking energy: -57.940
Base-Backbone interact. energy: -0.575
local terms energy: -79.425620
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -21.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -211.304744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.304744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.304744 (E_RNA)
where:
Base-Base interactions energy: -141.956
where: short stacking energy: -47.667
Base-Backbone interact. energy: -1.065
local terms energy: -68.283576
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -16.127
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: 9
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -175.063714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.063714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.063714 (E_RNA)
where:
Base-Base interactions energy: -107.071
where: short stacking energy: -59.273
Base-Backbone interact. energy: -0.054
local terms energy: -67.938639
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -7.814
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -17.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -165.331420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.331420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.331420 (E_RNA)
where:
Base-Base interactions energy: -105.901
where: short stacking energy: -45.962
Base-Backbone interact. energy: -0.588
local terms energy: -58.842799
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -11.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -160.530196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.530196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.530196 (E_RNA)
where:
Base-Base interactions energy: -94.035
where: short stacking energy: -45.729
Base-Backbone interact. energy: -0.682
local terms energy: -65.813374
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -10.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -107.379657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.379657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.379657 (E_RNA)
where:
Base-Base interactions energy: -43.507
where: short stacking energy: -39.346
Base-Backbone interact. energy: -0.102
local terms energy: -63.770917
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -9.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -82.104048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.104048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.104048 (E_RNA)
where:
Base-Base interactions energy: -34.686
where: short stacking energy: -22.485
Base-Backbone interact. energy: -0.166
local terms energy: -47.251940
where:
bonds (distance) C4'-P energy: -9.317
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -4.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -91.368574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.368574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.368574 (E_RNA)
where:
Base-Base interactions energy: -28.963
where: short stacking energy: -28.488
Base-Backbone interact. energy: -0.191
local terms energy: -62.215124
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -6.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -219.498373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.498373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.498373 (E_RNA)
where:
Base-Base interactions energy: -144.875
where: short stacking energy: -66.176
Base-Backbone interact. energy: -0.242
local terms energy: -74.381455
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -6.832
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: 8
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -223.066139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.066139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.066139 (E_RNA)
where:
Base-Base interactions energy: -141.615
where: short stacking energy: -65.107
Base-Backbone interact. energy: -0.960
local terms energy: -80.490680
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -21.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -211.338962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.338962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.338962 (E_RNA)
where:
Base-Base interactions energy: -139.955
where: short stacking energy: -60.503
Base-Backbone interact. energy: -0.057
local terms energy: -71.327685
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -20.579
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: 5
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -219.859047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.859047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.859047 (E_RNA)
where:
Base-Base interactions energy: -141.346
where: short stacking energy: -65.974
Base-Backbone interact. energy: -1.922
local terms energy: -76.591628
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -13.826
tors. eta vs tors. theta energy: -21.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -182.131086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.131086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.131086 (E_RNA)
where:
Base-Base interactions energy: -107.742
where: short stacking energy: -52.785
Base-Backbone interact. energy: -0.022
local terms energy: -74.367075
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -14.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -167.166043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.166043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.166043 (E_RNA)
where:
Base-Base interactions energy: -96.912
where: short stacking energy: -51.940
Base-Backbone interact. energy: -0.723
local terms energy: -69.531347
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -16.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -99.940404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.940404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.940404 (E_RNA)
where:
Base-Base interactions energy: -43.158
where: short stacking energy: -33.787
Base-Backbone interact. energy: -0.229
local terms energy: -56.553550
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -4.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -144.507941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.507941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.507941 (E_RNA)
where:
Base-Base interactions energy: -88.906
where: short stacking energy: -38.674
Base-Backbone interact. energy: -0.105
local terms energy: -55.496255
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -8.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -83.510530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.510530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.510530 (E_RNA)
where:
Base-Base interactions energy: -25.404
where: short stacking energy: -25.404
Base-Backbone interact. energy: -0.003
local terms energy: -58.104164
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -5.913
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: 3
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -78.881609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.881609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.881609 (E_RNA)
where:
Base-Base interactions energy: -27.621
where: short stacking energy: -25.241
Base-Backbone interact. energy: -0.654
local terms energy: -50.606384
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: 0.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -221.906535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.906535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.906535 (E_RNA)
where:
Base-Base interactions energy: -153.347
where: short stacking energy: -71.459
Base-Backbone interact. energy: 0.333
local terms energy: -68.892339
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -5.900
tors. eta vs tors. theta energy: -20.589
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: 2, replica: 7
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -216.259941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.259941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.259941 (E_RNA)
where:
Base-Base interactions energy: -144.013
where: short stacking energy: -58.116
Base-Backbone interact. energy: -1.245
local terms energy: -71.002200
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -17.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -217.647393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.647393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.647393 (E_RNA)
where:
Base-Base interactions energy: -141.776
where: short stacking energy: -64.466
Base-Backbone interact. energy: -0.416
local terms energy: -75.455402
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -12.996
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: 5
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -209.893788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.893788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.893788 (E_RNA)
where:
Base-Base interactions energy: -137.656
where: short stacking energy: -71.182
Base-Backbone interact. energy: 2.504
local terms energy: -74.741682
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -9.263
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: 5, replica: 9
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -179.359999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.359999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.359999 (E_RNA)
where:
Base-Base interactions energy: -113.950
where: short stacking energy: -62.278
Base-Backbone interact. energy: -0.034
local terms energy: -65.375988
where:
bonds (distance) C4'-P energy: -8.345
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -15.049
tors. eta vs tors. theta energy: -14.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -153.900027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.900027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.900027 (E_RNA)
where:
Base-Base interactions energy: -97.749
where: short stacking energy: -39.771
Base-Backbone interact. energy: -0.226
local terms energy: -55.924975
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -10.678
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -8.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -93.382572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.382572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.382572 (E_RNA)
where:
Base-Base interactions energy: -45.879
where: short stacking energy: -41.798
Base-Backbone interact. energy: -0.453
local terms energy: -47.050831
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -10.572
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -5.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -100.656737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.656737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.656737 (E_RNA)
where:
Base-Base interactions energy: -45.101
where: short stacking energy: -35.153
Base-Backbone interact. energy: -0.436
local terms energy: -55.119666
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -6.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -81.173137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.173137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.173137 (E_RNA)
where:
Base-Base interactions energy: -27.206
where: short stacking energy: -26.474
Base-Backbone interact. energy: -0.149
local terms energy: -53.818539
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -10.947
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -5.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -75.184828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.184828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.184828 (E_RNA)
where:
Base-Base interactions energy: -29.720
where: short stacking energy: -22.818
Base-Backbone interact. energy: 5.672
local terms energy: -51.136076
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -13.978
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: 0.275
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: 7
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -222.903024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.903024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.903024 (E_RNA)
where:
Base-Base interactions energy: -146.906
where: short stacking energy: -70.333
Base-Backbone interact. energy: -0.107
local terms energy: -75.890325
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -7.743
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: 2, replica: 1
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -220.542929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.542929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.542929 (E_RNA)
where:
Base-Base interactions energy: -143.667
where: short stacking energy: -75.068
Base-Backbone interact. energy: -1.002
local terms energy: -75.874201
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -8.699
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: 3, replica: 5
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -204.984982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.984982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.984982 (E_RNA)
where:
Base-Base interactions energy: -136.554
where: short stacking energy: -55.176
Base-Backbone interact. energy: -0.045
local terms energy: -68.385366
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -17.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -210.783233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.783233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.783233 (E_RNA)
where:
Base-Base interactions energy: -134.035
where: short stacking energy: -72.665
Base-Backbone interact. energy: -0.050
local terms energy: -76.697915
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -22.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -167.505001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.505001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.505001 (E_RNA)
where:
Base-Base interactions energy: -98.090
where: short stacking energy: -59.445
Base-Backbone interact. energy: -0.041
local terms energy: -69.373463
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -11.414
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: 6, replica: 9
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -163.791546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.791546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.791546 (E_RNA)
where:
Base-Base interactions energy: -99.036
where: short stacking energy: -51.357
Base-Backbone interact. energy: -0.268
local terms energy: -64.486883
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -12.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -91.123294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.123294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.123294 (E_RNA)
where:
Base-Base interactions energy: -46.521
where: short stacking energy: -25.694
Base-Backbone interact. energy: -1.170
local terms energy: -43.431598
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -0.512
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: 8, replica: 2
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -97.350094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.350094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.350094 (E_RNA)
where:
Base-Base interactions energy: -33.958
where: short stacking energy: -29.953
Base-Backbone interact. energy: -0.060
local terms energy: -63.331744
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -8.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -81.220438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.220438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.220438 (E_RNA)
where:
Base-Base interactions energy: -36.695
where: short stacking energy: -36.695
Base-Backbone interact. energy: -0.005
local terms energy: -44.520528
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -1.430
tors. eta vs tors. theta energy: -3.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -77.581737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.581737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.581737 (E_RNA)
where:
Base-Base interactions energy: -28.392
where: short stacking energy: -15.948
Base-Backbone interact. energy: -0.524
local terms energy: -48.665807
where:
bonds (distance) C4'-P energy: -10.531
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -8.453
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: 7
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -225.109411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.109411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.109411 (E_RNA)
where:
Base-Base interactions energy: -148.582
where: short stacking energy: -60.366
Base-Backbone interact. energy: -0.002
local terms energy: -76.525305
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -20.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -218.639125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.639125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.639125 (E_RNA)
where:
Base-Base interactions energy: -142.419
where: short stacking energy: -55.051
Base-Backbone interact. energy: -1.187
local terms energy: -75.033827
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -10.148
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: 1
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -213.866867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.866867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.866867 (E_RNA)
where:
Base-Base interactions energy: -136.264
where: short stacking energy: -72.910
Base-Backbone interact. energy: -0.000
local terms energy: -77.602961
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -22.015
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: 8
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -209.394271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.394271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.394271 (E_RNA)
where:
Base-Base interactions energy: -136.288
where: short stacking energy: -59.299
Base-Backbone interact. energy: -0.088
local terms energy: -73.018194
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -10.689
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: 5, replica: 6
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -149.457121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.457121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.457121 (E_RNA)
where:
Base-Base interactions energy: -92.647
where: short stacking energy: -46.978
Base-Backbone interact. energy: -0.015
local terms energy: -56.794572
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -4.622
tors. eta vs tors. theta energy: -9.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -160.241096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.241096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.241096 (E_RNA)
where:
Base-Base interactions energy: -98.997
where: short stacking energy: -53.915
Base-Backbone interact. energy: -0.209
local terms energy: -61.035099
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -9.825
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -12.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -95.206315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.206315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.206315 (E_RNA)
where:
Base-Base interactions energy: -38.592
where: short stacking energy: -35.083
Base-Backbone interact. energy: -0.136
local terms energy: -56.479067
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -5.590
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: 8, replica: 2
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -85.326368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.326368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.326368 (E_RNA)
where:
Base-Base interactions energy: -35.588
where: short stacking energy: -35.588
Base-Backbone interact. energy: -0.005
local terms energy: -49.733875
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -8.034
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -6.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -83.701016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.701016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.701016 (E_RNA)
where:
Base-Base interactions energy: -39.721
where: short stacking energy: -33.804
Base-Backbone interact. energy: -0.697
local terms energy: -43.283307
where:
bonds (distance) C4'-P energy: -6.167
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -3.564
tors. eta vs tors. theta energy: -2.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -76.571237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.571237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.571237 (E_RNA)
where:
Base-Base interactions energy: -25.285
where: short stacking energy: -24.016
Base-Backbone interact. energy: -1.032
local terms energy: -50.254283
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -9.305
flat angles P-C4'-P energy: -7.344
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: 1, replica: 7
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -222.261380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.261380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.261380 (E_RNA)
where:
Base-Base interactions energy: -145.406
where: short stacking energy: -71.168
Base-Backbone interact. energy: -0.168
local terms energy: -76.686954
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -21.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -218.615411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.615411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.615411 (E_RNA)
where:
Base-Base interactions energy: -148.486
where: short stacking energy: -65.194
Base-Backbone interact. energy: -0.050
local terms energy: -70.079489
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -18.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -213.339106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.339106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.339106 (E_RNA)
where:
Base-Base interactions energy: -144.578
where: short stacking energy: -59.460
Base-Backbone interact. energy: -0.651
local terms energy: -68.109778
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -4.768
tors. eta vs tors. theta energy: -17.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -213.387576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.387576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.387576 (E_RNA)
where:
Base-Base interactions energy: -143.836
where: short stacking energy: -60.776
Base-Backbone interact. energy: -0.001
local terms energy: -69.550453
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -6.134
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: 5, replica: 9
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -169.361675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.361675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.361675 (E_RNA)
where:
Base-Base interactions energy: -102.463
where: short stacking energy: -51.381
Base-Backbone interact. energy: -0.041
local terms energy: -66.857841
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -10.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -143.810035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.810035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.810035 (E_RNA)
where:
Base-Base interactions energy: -84.048
where: short stacking energy: -33.945
Base-Backbone interact. energy: -0.168
local terms energy: -59.593869
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -12.018
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -7.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -100.396846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.396846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.396846 (E_RNA)
where:
Base-Base interactions energy: -58.733
where: short stacking energy: -34.482
Base-Backbone interact. energy: 1.068
local terms energy: -42.731877
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -3.013
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -4.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -87.129127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.129127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.129127 (E_RNA)
where:
Base-Base interactions energy: -38.381
where: short stacking energy: -36.294
Base-Backbone interact. energy: -0.020
local terms energy: -48.727630
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -9.564
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -8.448
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: 9, replica: 10
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -86.384023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.384023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.384023 (E_RNA)
where:
Base-Base interactions energy: -40.010
where: short stacking energy: -36.741
Base-Backbone interact. energy: 3.190
local terms energy: -49.564337
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -11.173
flat angles C4'-P-C4' energy: -9.452
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -7.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -71.145841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.145841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.145841 (E_RNA)
where:
Base-Base interactions energy: -25.759
where: short stacking energy: -17.816
Base-Backbone interact. energy: 0.825
local terms energy: -46.211530
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: 4.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -225.976723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.976723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.976723 (E_RNA)
where:
Base-Base interactions energy: -151.528
where: short stacking energy: -77.256
Base-Backbone interact. energy: -0.005
local terms energy: -74.443710
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -23.224
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: 8
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -220.441060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.441060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.441060 (E_RNA)
where:
Base-Base interactions energy: -151.682
where: short stacking energy: -56.782
Base-Backbone interact. energy: -1.291
local terms energy: -67.467888
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -15.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -212.994414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.994414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.994414 (E_RNA)
where:
Base-Base interactions energy: -142.241
where: short stacking energy: -61.813
Base-Backbone interact. energy: -0.076
local terms energy: -70.677474
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -7.152
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: 4, replica: 1
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -207.100728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.100728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.100728 (E_RNA)
where:
Base-Base interactions energy: -139.745
where: short stacking energy: -68.812
Base-Backbone interact. energy: -0.018
local terms energy: -67.337722
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -9.516
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -9.177
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: 9
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -179.790413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.790413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.790413 (E_RNA)
where:
Base-Base interactions energy: -115.274
where: short stacking energy: -62.894
Base-Backbone interact. energy: -0.102
local terms energy: -64.414065
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -14.610
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: 6
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -163.792096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.792096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.792096 (E_RNA)
where:
Base-Base interactions energy: -103.950
where: short stacking energy: -55.332
Base-Backbone interact. energy: -0.029
local terms energy: -59.813432
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -2.971
tors. eta vs tors. theta energy: -14.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -87.754173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.754173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.754173 (E_RNA)
where:
Base-Base interactions energy: -31.252
where: short stacking energy: -28.984
Base-Backbone interact. energy: -0.032
local terms energy: -56.470179
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -1.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -82.786466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.786466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.786466 (E_RNA)
where:
Base-Base interactions energy: -27.775
where: short stacking energy: -22.913
Base-Backbone interact. energy: -0.141
local terms energy: -54.870386
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -1.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -78.930499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.930499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.930499 (E_RNA)
where:
Base-Base interactions energy: -31.574
where: short stacking energy: -22.128
Base-Backbone interact. energy: -0.203
local terms energy: -47.154019
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -0.741
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: 10, replica: 3
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -72.853704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.853704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.853704 (E_RNA)
where:
Base-Base interactions energy: -25.031
where: short stacking energy: -23.843
Base-Backbone interact. energy: -0.302
local terms energy: -47.520791
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -6.792
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -3.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -225.478830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.478830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.478830 (E_RNA)
where:
Base-Base interactions energy: -145.647
where: short stacking energy: -73.544
Base-Backbone interact. energy: -0.050
local terms energy: -79.782438
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -13.238
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: 8
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -214.763349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.763349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.763349 (E_RNA)
where:
Base-Base interactions energy: -142.453
where: short stacking energy: -67.498
Base-Backbone interact. energy: -1.007
local terms energy: -71.302804
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -10.817
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: 3, replica: 1
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -215.063499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.063499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.063499 (E_RNA)
where:
Base-Base interactions energy: -140.701
where: short stacking energy: -68.166
Base-Backbone interact. energy: -0.024
local terms energy: -74.338983
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -21.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -206.679538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.679538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.679538 (E_RNA)
where:
Base-Base interactions energy: -132.141
where: short stacking energy: -55.129
Base-Backbone interact. energy: -0.870
local terms energy: -73.668050
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -13.063
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: 5, replica: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -158.889014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.889014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.889014 (E_RNA)
where:
Base-Base interactions energy: -96.246
where: short stacking energy: -47.958
Base-Backbone interact. energy: -2.129
local terms energy: -60.514047
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -13.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -159.209817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.209817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.209817 (E_RNA)
where:
Base-Base interactions energy: -100.926
where: short stacking energy: -48.224
Base-Backbone interact. energy: -0.078
local terms energy: -58.206062
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -10.356
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -9.612
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: 10
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -157.336906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.336906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.336906 (E_RNA)
where:
Base-Base interactions energy: -102.980
where: short stacking energy: -36.200
Base-Backbone interact. energy: -0.523
local terms energy: -53.834095
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -5.848
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: 8, replica: 4
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -93.042748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.042748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.042748 (E_RNA)
where:
Base-Base interactions energy: -35.510
where: short stacking energy: -26.018
Base-Backbone interact. energy: -0.572
local terms energy: -56.960636
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -10.291
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -2.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -81.403040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.403040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.403040 (E_RNA)
where:
Base-Base interactions energy: -33.433
where: short stacking energy: -32.451
Base-Backbone interact. energy: -0.463
local terms energy: -47.506613
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -7.287
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -1.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -71.234159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.234159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.234159 (E_RNA)
where:
Base-Base interactions energy: -21.410
where: short stacking energy: -19.682
Base-Backbone interact. energy: -0.095
local terms energy: -49.728908
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -6.972
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -1.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -216.981050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.981050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.981050 (E_RNA)
where:
Base-Base interactions energy: -138.125
where: short stacking energy: -69.012
Base-Backbone interact. energy: -0.076
local terms energy: -78.780713
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -10.934
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: 2, replica: 1
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -228.677859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.677859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.677859 (E_RNA)
where:
Base-Base interactions energy: -153.753
where: short stacking energy: -67.308
Base-Backbone interact. energy: -0.143
local terms energy: -74.782679
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -19.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -210.651997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.651997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.651997 (E_RNA)
where:
Base-Base interactions energy: -135.909
where: short stacking energy: -67.453
Base-Backbone interact. energy: -0.005
local terms energy: -74.738751
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -19.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -215.078330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.078330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.078330 (E_RNA)
where:
Base-Base interactions energy: -139.394
where: short stacking energy: -52.103
Base-Backbone interact. energy: -0.432
local terms energy: -75.252440
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -16.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -159.087497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.087497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.087497 (E_RNA)
where:
Base-Base interactions energy: -97.527
where: short stacking energy: -53.719
Base-Backbone interact. energy: -0.277
local terms energy: -61.283418
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -13.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -163.871289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.871289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.871289 (E_RNA)
where:
Base-Base interactions energy: -100.296
where: short stacking energy: -41.079
Base-Backbone interact. energy: -1.116
local terms energy: -62.459555
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -7.207
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: 9
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -162.024316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.024316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.024316 (E_RNA)
where:
Base-Base interactions energy: -102.527
where: short stacking energy: -56.034
Base-Backbone interact. energy: -0.008
local terms energy: -59.489346
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -10.998
flat angles C4'-P-C4' energy: -10.597
flat angles P-C4'-P energy: -8.351
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: 8, replica: 3
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -81.314182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.314182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.314182 (E_RNA)
where:
Base-Base interactions energy: -31.397
where: short stacking energy: -26.430
Base-Backbone interact. energy: -0.088
local terms energy: -49.829002
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -10.022
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -1.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -84.315597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.315597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.315597 (E_RNA)
where:
Base-Base interactions energy: -34.853
where: short stacking energy: -34.853
Base-Backbone interact. energy: -0.206
local terms energy: -49.255902
where:
bonds (distance) C4'-P energy: -9.072
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: -2.621
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: 10, replica: 2
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -84.002573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.002573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.002573 (E_RNA)
where:
Base-Base interactions energy: -26.640
where: short stacking energy: -22.333
Base-Backbone interact. energy: 0.139
local terms energy: -57.502223
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -8.610
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -10.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -226.075114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.075114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.075114 (E_RNA)
where:
Base-Base interactions energy: -142.245
where: short stacking energy: -65.508
Base-Backbone interact. energy: -0.982
local terms energy: -82.847312
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -12.215
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: 2, replica: 7
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -224.102899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.102899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.102899 (E_RNA)
where:
Base-Base interactions energy: -146.727
where: short stacking energy: -69.718
Base-Backbone interact. energy: -0.030
local terms energy: -77.345617
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -20.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -212.131485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.131485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.131485 (E_RNA)
where:
Base-Base interactions energy: -138.991
where: short stacking energy: -51.193
Base-Backbone interact. energy: -0.034
local terms energy: -73.105925
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -11.198
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: 4, replica: 8
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -211.397086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.397086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.397086 (E_RNA)
where:
Base-Base interactions energy: -138.779
where: short stacking energy: -61.997
Base-Backbone interact. energy: -0.109
local terms energy: -72.510012
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -22.123
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: 10
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -171.069184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.069184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.069184 (E_RNA)
where:
Base-Base interactions energy: -107.620
where: short stacking energy: -50.340
Base-Backbone interact. energy: -0.203
local terms energy: -63.246446
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -14.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -139.314992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.314992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.314992 (E_RNA)
where:
Base-Base interactions energy: -86.445
where: short stacking energy: -46.464
Base-Backbone interact. energy: -0.746
local terms energy: -52.123420
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -14.379
flat angles C4'-P-C4' energy: -8.624
flat angles P-C4'-P energy: -6.156
tors. eta vs tors. theta energy: -11.019
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: 7, replica: 3
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -99.305213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.305213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.305213 (E_RNA)
where:
Base-Base interactions energy: -42.810
where: short stacking energy: -42.810
Base-Backbone interact. energy: -0.028
local terms energy: -56.467310
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -4.941
tors. eta vs tors. theta energy: -8.957
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: 414
Temperature: 1.250000
Total energy: -134.359539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.359539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.359539 (E_RNA)
where:
Base-Base interactions energy: -80.947
where: short stacking energy: -31.459
Base-Backbone interact. energy: -0.265
local terms energy: -53.146725
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -0.714
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: 9, replica: 2
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -77.955533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.955533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.955533 (E_RNA)
where:
Base-Base interactions energy: -27.173
where: short stacking energy: -27.173
Base-Backbone interact. energy: -0.481
local terms energy: -50.300946
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -10.635
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -3.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -83.648881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.648881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.648881 (E_RNA)
where:
Base-Base interactions energy: -39.837
where: short stacking energy: -32.633
Base-Backbone interact. energy: -0.007
local terms energy: -43.804223
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -10.126
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -2.365
tors. eta vs tors. theta energy: -3.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -215.921921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.921921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.921921 (E_RNA)
where:
Base-Base interactions energy: -133.344
where: short stacking energy: -53.077
Base-Backbone interact. energy: -0.068
local terms energy: -82.509613
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -10.978
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: 5
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -222.174121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.174121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.174121 (E_RNA)
where:
Base-Base interactions energy: -144.566
where: short stacking energy: -67.481
Base-Backbone interact. energy: -0.940
local terms energy: -76.667761
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -11.186
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -21.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -225.123372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.123372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.123372 (E_RNA)
where:
Base-Base interactions energy: -153.396
where: short stacking energy: -62.464
Base-Backbone interact. energy: -0.759
local terms energy: -70.967991
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -17.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -195.239938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.239938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.239938 (E_RNA)
where:
Base-Base interactions energy: -124.359
where: short stacking energy: -72.297
Base-Backbone interact. energy: -0.025
local terms energy: -70.856289
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -10.932
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: 5, replica: 8
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -206.087117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.087117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.087117 (E_RNA)
where:
Base-Base interactions energy: -132.160
where: short stacking energy: -64.349
Base-Backbone interact. energy: -0.359
local terms energy: -73.567945
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -18.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -139.495035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.495035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.495035 (E_RNA)
where:
Base-Base interactions energy: -77.064
where: short stacking energy: -40.417
Base-Backbone interact. energy: -0.465
local terms energy: -61.965733
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -7.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -91.546824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.546824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.546824 (E_RNA)
where:
Base-Base interactions energy: -37.780
where: short stacking energy: -35.257
Base-Backbone interact. energy: 0.170
local terms energy: -53.936410
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -2.162
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: 415
Temperature: 1.250000
Total energy: -121.245517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.245517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.245517 (E_RNA)
where:
Base-Base interactions energy: -75.271
where: short stacking energy: -33.035
Base-Backbone interact. energy: -0.274
local terms energy: -45.701048
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -5.906
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -3.723
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: 2
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -92.661585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.661585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.661585 (E_RNA)
where:
Base-Base interactions energy: -47.741
where: short stacking energy: -26.391
Base-Backbone interact. energy: 2.644
local terms energy: -47.564629
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -10.688
flat angles P-C4'-P energy: -7.542
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: 10, replica: 4
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -74.844893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.844893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.844893 (E_RNA)
where:
Base-Base interactions energy: -30.081
where: short stacking energy: -20.359
Base-Backbone interact. energy: 1.819
local terms energy: -46.582837
where:
bonds (distance) C4'-P energy: -11.071
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -10.673
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: 0.632
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: 5
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -220.970740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.970740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.970740 (E_RNA)
where:
Base-Base interactions energy: -145.604
where: short stacking energy: -65.237
Base-Backbone interact. energy: -0.354
local terms energy: -75.013020
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -21.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -220.318709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.318709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.318709 (E_RNA)
where:
Base-Base interactions energy: -143.309
where: short stacking energy: -54.297
Base-Backbone interact. energy: -2.029
local terms energy: -74.980375
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -17.024
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: 3, replica: 7
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -214.779803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.779803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.779803 (E_RNA)
where:
Base-Base interactions energy: -146.812
where: short stacking energy: -60.573
Base-Backbone interact. energy: -1.159
local terms energy: -66.808028
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -15.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -166.798567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.798567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.798567 (E_RNA)
where:
Base-Base interactions energy: -109.657
where: short stacking energy: -57.056
Base-Backbone interact. energy: -0.067
local terms energy: -57.074617
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -11.054
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -11.287
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: 8
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -194.814315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.814315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.814315 (E_RNA)
where:
Base-Base interactions energy: -124.465
where: short stacking energy: -57.740
Base-Backbone interact. energy: -0.179
local terms energy: -70.170400
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -4.939
tors. eta vs tors. theta energy: -16.279
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: 6
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -141.121018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.121018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.121018 (E_RNA)
where:
Base-Base interactions energy: -84.389
where: short stacking energy: -43.708
Base-Backbone interact. energy: 0.695
local terms energy: -57.427160
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -6.656
tors. eta vs tors. theta energy: -7.770
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: 9
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -148.727961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.727961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.727961 (E_RNA)
where:
Base-Base interactions energy: -89.585
where: short stacking energy: -41.327
Base-Backbone interact. energy: -0.047
local terms energy: -59.095289
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -7.029
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: 8, replica: 3
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -85.778728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.778728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.778728 (E_RNA)
where:
Base-Base interactions energy: -36.761
where: short stacking energy: -26.337
Base-Backbone interact. energy: -0.129
local terms energy: -48.888727
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -6.413
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: 4
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -86.787714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.787714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.787714 (E_RNA)
where:
Base-Base interactions energy: -30.673
where: short stacking energy: -30.673
Base-Backbone interact. energy: -0.254
local terms energy: -55.860527
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -5.772
tors. eta vs tors. theta energy: -4.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -74.114472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.114472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.114472 (E_RNA)
where:
Base-Base interactions energy: -33.189
where: short stacking energy: -28.357
Base-Backbone interact. energy: -0.206
local terms energy: -40.719100
where:
bonds (distance) C4'-P energy: -7.240
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -2.145
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: 1, replica: 5
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -226.360784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.360784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.360784 (E_RNA)
where:
Base-Base interactions energy: -142.793
where: short stacking energy: -77.296
Base-Backbone interact. energy: -0.058
local terms energy: -83.509483
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -12.691
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: 7
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -213.123977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.123977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.123977 (E_RNA)
where:
Base-Base interactions energy: -140.883
where: short stacking energy: -63.150
Base-Backbone interact. energy: -0.166
local terms energy: -72.074894
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -17.860
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: 1
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -215.350931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.350931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.350931 (E_RNA)
where:
Base-Base interactions energy: -142.049
where: short stacking energy: -67.840
Base-Backbone interact. energy: -1.571
local terms energy: -71.731276
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -18.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -202.017873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.017873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.017873 (E_RNA)
where:
Base-Base interactions energy: -131.137
where: short stacking energy: -51.425
Base-Backbone interact. energy: -0.130
local terms energy: -70.751083
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -19.581
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: 10
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -164.438051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.438051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.438051 (E_RNA)
where:
Base-Base interactions energy: -103.552
where: short stacking energy: -45.566
Base-Backbone interact. energy: -0.963
local terms energy: -59.922747
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -9.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -142.994911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.994911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.994911 (E_RNA)
where:
Base-Base interactions energy: -78.412
where: short stacking energy: -49.682
Base-Backbone interact. energy: 0.037
local terms energy: -64.620204
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -12.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -151.090057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.090057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.090057 (E_RNA)
where:
Base-Base interactions energy: -89.654
where: short stacking energy: -39.253
Base-Backbone interact. energy: 0.452
local terms energy: -61.887389
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -10.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -104.869946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.869946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.869946 (E_RNA)
where:
Base-Base interactions energy: -56.555
where: short stacking energy: -32.791
Base-Backbone interact. energy: 0.256
local terms energy: -48.570909
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -8.048
flat angles P-C4'-P energy: -7.288
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: 9, replica: 3
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -88.585499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.585499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.585499 (E_RNA)
where:
Base-Base interactions energy: -30.178
where: short stacking energy: -30.167
Base-Backbone interact. energy: -0.053
local terms energy: -58.354730
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -4.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -94.719994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.719994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.719994 (E_RNA)
where:
Base-Base interactions energy: -51.369
where: short stacking energy: -32.924
Base-Backbone interact. energy: -0.044
local terms energy: -43.307352
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -9.501
flat angles P-C4'-P energy: -4.095
tors. eta vs tors. theta energy: -1.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -224.810794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.810794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.810794 (E_RNA)
where:
Base-Base interactions energy: -144.310
where: short stacking energy: -69.497
Base-Backbone interact. energy: -1.200
local terms energy: -79.300685
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -21.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -220.337533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.337533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.337533 (E_RNA)
where:
Base-Base interactions energy: -146.012
where: short stacking energy: -63.466
Base-Backbone interact. energy: -0.774
local terms energy: -73.551240
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -20.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -209.054890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.054890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.054890 (E_RNA)
where:
Base-Base interactions energy: -136.343
where: short stacking energy: -50.272
Base-Backbone interact. energy: -0.220
local terms energy: -72.491443
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -15.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -222.216036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.216036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.216036 (E_RNA)
where:
Base-Base interactions energy: -147.877
where: short stacking energy: -62.140
Base-Backbone interact. energy: -0.304
local terms energy: -74.035285
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -20.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -163.267832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.267832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.267832 (E_RNA)
where:
Base-Base interactions energy: -103.290
where: short stacking energy: -44.117
Base-Backbone interact. energy: -1.590
local terms energy: -58.387049
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -11.200
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -6.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -157.523912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.523912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.523912 (E_RNA)
where:
Base-Base interactions energy: -96.194
where: short stacking energy: -47.856
Base-Backbone interact. energy: -0.489
local terms energy: -60.841331
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -9.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -148.840328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.840328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.840328 (E_RNA)
where:
Base-Base interactions energy: -87.310
where: short stacking energy: -45.124
Base-Backbone interact. energy: 1.143
local terms energy: -62.674132
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -9.154
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: 4
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -100.406400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.406400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.406400 (E_RNA)
where:
Base-Base interactions energy: -48.881
where: short stacking energy: -48.881
Base-Backbone interact. energy: -0.184
local terms energy: -51.341693
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -10.137
flat angles P-C4'-P energy: -6.443
tors. eta vs tors. theta energy: -7.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -82.455143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.455143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.455143 (E_RNA)
where:
Base-Base interactions energy: -31.960
where: short stacking energy: -28.712
Base-Backbone interact. energy: -0.589
local terms energy: -49.905956
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -7.478
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -4.508
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: 10, replica: 3
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -83.331959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.331959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.331959 (E_RNA)
where:
Base-Base interactions energy: -30.489
where: short stacking energy: -29.443
Base-Backbone interact. energy: -0.024
local terms energy: -52.819175
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -2.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -223.265978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.265978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.265978 (E_RNA)
where:
Base-Base interactions energy: -150.146
where: short stacking energy: -69.739
Base-Backbone interact. energy: -0.098
local terms energy: -73.021708
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -18.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -218.851441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.851441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.851441 (E_RNA)
where:
Base-Base interactions energy: -140.301
where: short stacking energy: -57.795
Base-Backbone interact. energy: -1.170
local terms energy: -77.380680
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -20.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -217.478506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.478506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.478506 (E_RNA)
where:
Base-Base interactions energy: -148.000
where: short stacking energy: -69.437
Base-Backbone interact. energy: -0.006
local terms energy: -69.472247
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -9.882
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -19.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -212.945124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.945124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.945124 (E_RNA)
where:
Base-Base interactions energy: -139.056
where: short stacking energy: -55.436
Base-Backbone interact. energy: -0.006
local terms energy: -73.883415
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -17.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -169.624872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.624872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.624872 (E_RNA)
where:
Base-Base interactions energy: -118.253
where: short stacking energy: -44.621
Base-Backbone interact. energy: -1.039
local terms energy: -50.333486
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -6.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -156.375146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.375146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.375146 (E_RNA)
where:
Base-Base interactions energy: -90.674
where: short stacking energy: -59.059
Base-Backbone interact. energy: 0.096
local terms energy: -65.797633
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -12.568
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -12.324
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: 10
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -146.795996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.795996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.795996 (E_RNA)
where:
Base-Base interactions energy: -84.103
where: short stacking energy: -33.586
Base-Backbone interact. energy: -0.287
local terms energy: -62.406230
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -6.705
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: 2
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -76.476238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.476238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.476238 (E_RNA)
where:
Base-Base interactions energy: -26.740
where: short stacking energy: -25.578
Base-Backbone interact. energy: -0.434
local terms energy: -49.301257
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -0.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -85.993631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.993631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.993631 (E_RNA)
where:
Base-Base interactions energy: -47.365
where: short stacking energy: -33.694
Base-Backbone interact. energy: -0.223
local terms energy: -38.404900
where:
bonds (distance) C4'-P energy: -9.938
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -10.760
flat angles P-C4'-P energy: -2.142
tors. eta vs tors. theta energy: -0.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -77.582731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.582731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.582731 (E_RNA)
where:
Base-Base interactions energy: -30.080
where: short stacking energy: -28.707
Base-Backbone interact. energy: -0.043
local terms energy: -47.460064
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -9.121
flat angles C4'-P-C4' energy: -9.875
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -6.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -220.516678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.516678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.516678 (E_RNA)
where:
Base-Base interactions energy: -146.813
where: short stacking energy: -51.731
Base-Backbone interact. energy: -0.416
local terms energy: -73.286857
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -11.979
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: 2, replica: 8
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -221.704558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.704558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.704558 (E_RNA)
where:
Base-Base interactions energy: -141.823
where: short stacking energy: -67.103
Base-Backbone interact. energy: -0.086
local terms energy: -79.795383
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -20.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -215.486421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.486421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.486421 (E_RNA)
where:
Base-Base interactions energy: -144.339
where: short stacking energy: -55.876
Base-Backbone interact. energy: -0.865
local terms energy: -70.282652
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -12.137
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: 4, replica: 7
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -213.514579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.514579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.514579 (E_RNA)
where:
Base-Base interactions energy: -141.154
where: short stacking energy: -66.971
Base-Backbone interact. energy: -0.022
local terms energy: -72.338713
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -8.862
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: 5, replica: 6
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -173.952020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.952020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.952020 (E_RNA)
where:
Base-Base interactions energy: -113.024
where: short stacking energy: -54.649
Base-Backbone interact. energy: -0.124
local terms energy: -60.804262
where:
bonds (distance) C4'-P energy: -9.914
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -12.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -152.460352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.460352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.460352 (E_RNA)
where:
Base-Base interactions energy: -98.436
where: short stacking energy: -50.447
Base-Backbone interact. energy: -1.067
local terms energy: -52.956878
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -10.015
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -9.809
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: 2
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -102.728198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.728198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.728198 (E_RNA)
where:
Base-Base interactions energy: -43.827
where: short stacking energy: -40.078
Base-Backbone interact. energy: 1.889
local terms energy: -60.789796
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -8.606
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: 10
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -133.981682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.981682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.981682 (E_RNA)
where:
Base-Base interactions energy: -83.656
where: short stacking energy: -39.873
Base-Backbone interact. energy: -0.297
local terms energy: -50.028244
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -9.104
flat angles C4'-P-C4' energy: -8.532
flat angles P-C4'-P energy: -9.571
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: 9, replica: 4
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -79.563003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.563003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.563003 (E_RNA)
where:
Base-Base interactions energy: -34.672
where: short stacking energy: -16.667
Base-Backbone interact. energy: -0.201
local terms energy: -44.689861
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: 8.432
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: 3
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -68.410751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.410751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.410751 (E_RNA)
where:
Base-Base interactions energy: -28.909
where: short stacking energy: -15.010
Base-Backbone interact. energy: -0.176
local terms energy: -39.325533
where:
bonds (distance) C4'-P energy: -7.690
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: 9.710
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: 421
Temperature: 0.900000
Total energy: -216.561203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.561203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.561203 (E_RNA)
where:
Base-Base interactions energy: -148.583
where: short stacking energy: -62.605
Base-Backbone interact. energy: -0.176
local terms energy: -67.802561
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -10.211
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: 2, replica: 8
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -221.155428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.155428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.155428 (E_RNA)
where:
Base-Base interactions energy: -151.936
where: short stacking energy: -69.922
Base-Backbone interact. energy: -0.223
local terms energy: -68.996000
where:
bonds (distance) C4'-P energy: -9.788
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -20.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -207.446799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.446799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.446799 (E_RNA)
where:
Base-Base interactions energy: -139.030
where: short stacking energy: -54.374
Base-Backbone interact. energy: -1.213
local terms energy: -67.203912
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -10.759
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -17.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -204.459956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.459956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.459956 (E_RNA)
where:
Base-Base interactions energy: -128.899
where: short stacking energy: -66.583
Base-Backbone interact. energy: -0.104
local terms energy: -75.456288
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -12.431
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -22.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -171.024297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.024297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.024297 (E_RNA)
where:
Base-Base interactions energy: -110.395
where: short stacking energy: -45.042
Base-Backbone interact. energy: -0.240
local terms energy: -60.389458
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -6.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -162.741643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.741643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.741643 (E_RNA)
where:
Base-Base interactions energy: -99.510
where: short stacking energy: -45.866
Base-Backbone interact. energy: -1.181
local terms energy: -62.050443
where:
bonds (distance) C4'-P energy: -8.000
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -13.988
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: 2
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -101.833451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.833451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.833451 (E_RNA)
where:
Base-Base interactions energy: -48.792
where: short stacking energy: -28.060
Base-Backbone interact. energy: -0.128
local terms energy: -52.914287
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -4.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -119.894269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.894269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.894269 (E_RNA)
where:
Base-Base interactions energy: -62.050
where: short stacking energy: -33.006
Base-Backbone interact. energy: -0.832
local terms energy: -57.012324
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -10.761
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: 9, replica: 4
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -78.638503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.638503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.638503 (E_RNA)
where:
Base-Base interactions energy: -28.390
where: short stacking energy: -28.390
Base-Backbone interact. energy: -0.122
local terms energy: -50.126718
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -10.646
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -6.997
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: 3
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -79.407807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.407807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.407807 (E_RNA)
where:
Base-Base interactions energy: -35.320
where: short stacking energy: -26.251
Base-Backbone interact. energy: -1.295
local terms energy: -42.792575
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -8.421
flat angles P-C4'-P energy: -3.604
tors. eta vs tors. theta energy: -0.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -215.324573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.324573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.324573 (E_RNA)
where:
Base-Base interactions energy: -143.300
where: short stacking energy: -62.308
Base-Backbone interact. energy: -0.214
local terms energy: -71.810282
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -10.043
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: 2, replica: 5
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -215.105845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.105845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.105845 (E_RNA)
where:
Base-Base interactions energy: -143.813
where: short stacking energy: -52.930
Base-Backbone interact. energy: -0.081
local terms energy: -71.211846
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -14.085
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: 7
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -217.252887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.252887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.252887 (E_RNA)
where:
Base-Base interactions energy: -143.536
where: short stacking energy: -66.146
Base-Backbone interact. energy: -0.004
local terms energy: -73.712444
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -20.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -204.090893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.090893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.090893 (E_RNA)
where:
Base-Base interactions energy: -137.518
where: short stacking energy: -56.113
Base-Backbone interact. energy: -0.068
local terms energy: -66.505156
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -13.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -173.185522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.185522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.185522 (E_RNA)
where:
Base-Base interactions energy: -118.154
where: short stacking energy: -48.615
Base-Backbone interact. energy: -0.418
local terms energy: -54.613765
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -10.525
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -7.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -151.045796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.045796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.045796 (E_RNA)
where:
Base-Base interactions energy: -84.897
where: short stacking energy: -42.182
Base-Backbone interact. energy: -0.139
local terms energy: -66.009929
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -9.796
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: 10
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -144.344703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.344703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.344703 (E_RNA)
where:
Base-Base interactions energy: -85.369
where: short stacking energy: -38.965
Base-Backbone interact. energy: -0.681
local terms energy: -58.293971
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -9.809
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -6.256
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: 2
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -91.071962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.071962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.071962 (E_RNA)
where:
Base-Base interactions energy: -35.227
where: short stacking energy: -35.227
Base-Backbone interact. energy: -0.467
local terms energy: -55.378065
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -10.295
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: 9, replica: 3
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -71.604852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.604852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.604852 (E_RNA)
where:
Base-Base interactions energy: -24.268
where: short stacking energy: -16.507
Base-Backbone interact. energy: -0.229
local terms energy: -47.107351
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: 1.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -78.402583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.402583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.402583 (E_RNA)
where:
Base-Base interactions energy: -30.685
where: short stacking energy: -30.109
Base-Backbone interact. energy: -0.325
local terms energy: -47.392533
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -8.952
flat angles C4'-P-C4' energy: -11.169
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -4.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -217.422770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.422770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.422770 (E_RNA)
where:
Base-Base interactions energy: -147.302
where: short stacking energy: -58.282
Base-Backbone interact. energy: -0.004
local terms energy: -70.116662
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -18.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -203.741063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.741063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.741063 (E_RNA)
where:
Base-Base interactions energy: -128.865
where: short stacking energy: -62.971
Base-Backbone interact. energy: -0.001
local terms energy: -74.875523
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -8.682
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: 5
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -205.992570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.992570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.992570 (E_RNA)
where:
Base-Base interactions energy: -139.493
where: short stacking energy: -51.849
Base-Backbone interact. energy: -0.658
local terms energy: -65.841033
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -5.445
tors. eta vs tors. theta energy: -14.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -207.077185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.077185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.077185 (E_RNA)
where:
Base-Base interactions energy: -136.106
where: short stacking energy: -50.901
Base-Backbone interact. energy: -0.996
local terms energy: -69.974793
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -11.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -142.452760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.452760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.452760 (E_RNA)
where:
Base-Base interactions energy: -88.474
where: short stacking energy: -48.867
Base-Backbone interact. energy: -0.426
local terms energy: -53.552838
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -10.567
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -7.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -150.145731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.145731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.145731 (E_RNA)
where:
Base-Base interactions energy: -82.728
where: short stacking energy: -45.331
Base-Backbone interact. energy: -0.038
local terms energy: -67.379098
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -13.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -153.981527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.981527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.981527 (E_RNA)
where:
Base-Base interactions energy: -96.886
where: short stacking energy: -44.512
Base-Backbone interact. energy: -0.052
local terms energy: -57.044086
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -0.250
tors. eta vs tors. theta energy: -15.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -75.948957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.948957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.948957 (E_RNA)
where:
Base-Base interactions energy: -25.208
where: short stacking energy: -18.976
Base-Backbone interact. energy: -0.149
local terms energy: -50.591867
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -0.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -97.499343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.499343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.499343 (E_RNA)
where:
Base-Base interactions energy: -44.537
where: short stacking energy: -39.830
Base-Backbone interact. energy: -0.029
local terms energy: -52.933692
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -12.400
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: -12.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -73.369601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.369601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.369601 (E_RNA)
where:
Base-Base interactions energy: -19.734
where: short stacking energy: -19.734
Base-Backbone interact. energy: -0.129
local terms energy: -53.507233
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -6.093
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: 1, replica: 7
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -218.001107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.001107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.001107 (E_RNA)
where:
Base-Base interactions energy: -139.638
where: short stacking energy: -60.676
Base-Backbone interact. energy: -0.258
local terms energy: -78.105708
where:
bonds (distance) C4'-P energy: -17.709
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -22.013
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: 2, replica: 8
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -227.956983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.956983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.956983 (E_RNA)
where:
Base-Base interactions energy: -147.842
where: short stacking energy: -74.506
Base-Backbone interact. energy: -0.575
local terms energy: -79.539953
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -20.447
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: 5
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -212.776137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.776137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.776137 (E_RNA)
where:
Base-Base interactions energy: -146.497
where: short stacking energy: -55.192
Base-Backbone interact. energy: -0.097
local terms energy: -66.181526
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -14.540
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: 1
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -206.078396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.078396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.078396 (E_RNA)
where:
Base-Base interactions energy: -132.780
where: short stacking energy: -68.205
Base-Backbone interact. energy: -0.002
local terms energy: -73.295662
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: -18.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -167.611140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.611140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.611140 (E_RNA)
where:
Base-Base interactions energy: -105.586
where: short stacking energy: -54.808
Base-Backbone interact. energy: -0.037
local terms energy: -61.988508
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -10.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -152.933977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.933977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.933977 (E_RNA)
where:
Base-Base interactions energy: -87.462
where: short stacking energy: -47.778
Base-Backbone interact. energy: 1.122
local terms energy: -66.593750
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -10.789
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: 424
Temperature: 1.200000
Total energy: -165.723083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.723083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.723083 (E_RNA)
where:
Base-Base interactions energy: -107.058
where: short stacking energy: -55.824
Base-Backbone interact. energy: -0.089
local terms energy: -58.575277
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -7.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -88.632429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.632429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.632429 (E_RNA)
where:
Base-Base interactions energy: -43.021
where: short stacking energy: -23.457
Base-Backbone interact. energy: -0.803
local terms energy: -44.808984
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -11.064
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -5.688
tors. eta vs tors. theta energy: -3.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -78.010900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.010900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.010900 (E_RNA)
where:
Base-Base interactions energy: -32.800
where: short stacking energy: -28.329
Base-Backbone interact. energy: -0.032
local terms energy: -45.178635
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -9.273
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: 0.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -69.606171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.606171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.606171 (E_RNA)
where:
Base-Base interactions energy: -25.383
where: short stacking energy: -21.460
Base-Backbone interact. energy: 0.021
local terms energy: -44.243461
where:
bonds (distance) C4'-P energy: -9.067
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -8.383
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: 1, replica: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -223.851811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.851811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.851811 (E_RNA)
where:
Base-Base interactions energy: -148.654
where: short stacking energy: -72.188
Base-Backbone interact. energy: -0.007
local terms energy: -75.190931
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -20.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -218.893222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.893222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.893222 (E_RNA)
where:
Base-Base interactions energy: -148.142
where: short stacking energy: -55.319
Base-Backbone interact. energy: -0.284
local terms energy: -70.467341
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -12.158
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: 3, replica: 8
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -196.483059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.483059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.483059 (E_RNA)
where:
Base-Base interactions energy: -124.123
where: short stacking energy: -59.370
Base-Backbone interact. energy: -0.003
local terms energy: -72.357360
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -11.829
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -16.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -203.201598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.201598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.201598 (E_RNA)
where:
Base-Base interactions energy: -132.795
where: short stacking energy: -64.351
Base-Backbone interact. energy: -0.654
local terms energy: -69.752596
where:
bonds (distance) C4'-P energy: -10.079
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -19.660
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: 5, replica: 9
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -183.260247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.260247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.260247 (E_RNA)
where:
Base-Base interactions energy: -109.813
where: short stacking energy: -61.880
Base-Backbone interact. energy: -0.092
local terms energy: -73.355110
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -15.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -164.195592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.195592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.195592 (E_RNA)
where:
Base-Base interactions energy: -102.751
where: short stacking energy: -46.736
Base-Backbone interact. energy: -0.012
local terms energy: -61.432233
where:
bonds (distance) C4'-P energy: -10.273
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -12.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -150.966210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.966210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.966210 (E_RNA)
where:
Base-Base interactions energy: -87.984
where: short stacking energy: -46.424
Base-Backbone interact. energy: -0.236
local terms energy: -62.746011
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -9.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -90.697391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.697391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.697391 (E_RNA)
where:
Base-Base interactions energy: -50.933
where: short stacking energy: -30.790
Base-Backbone interact. energy: -0.298
local terms energy: -39.466660
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -9.889
flat angles P-C4'-P energy: -4.415
tors. eta vs tors. theta energy: -1.087
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: 9, replica: 2
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -79.216101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.216101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.216101 (E_RNA)
where:
Base-Base interactions energy: -25.982
where: short stacking energy: -24.059
Base-Backbone interact. energy: -0.050
local terms energy: -53.184528
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -2.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -89.888574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.888574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.888574 (E_RNA)
where:
Base-Base interactions energy: -41.514
where: short stacking energy: -39.441
Base-Backbone interact. energy: -0.115
local terms energy: -48.259381
where:
bonds (distance) C4'-P energy: -8.701
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -9.375
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -5.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -226.274085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.274085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.274085 (E_RNA)
where:
Base-Base interactions energy: -143.803
where: short stacking energy: -77.278
Base-Backbone interact. energy: -0.034
local terms energy: -82.437993
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -22.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -208.589414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.589414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.589414 (E_RNA)
where:
Base-Base interactions energy: -136.644
where: short stacking energy: -54.062
Base-Backbone interact. energy: -0.155
local terms energy: -71.790418
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -12.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -208.572163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.572163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.572163 (E_RNA)
where:
Base-Base interactions energy: -134.840
where: short stacking energy: -60.108
Base-Backbone interact. energy: -2.008
local terms energy: -71.724727
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -9.764
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: 4, replica: 8
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -194.312437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.312437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.312437 (E_RNA)
where:
Base-Base interactions energy: -125.762
where: short stacking energy: -60.462
Base-Backbone interact. energy: -0.218
local terms energy: -68.332650
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -18.215
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: 10
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -148.034667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.034667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.034667 (E_RNA)
where:
Base-Base interactions energy: -87.440
where: short stacking energy: -43.945
Base-Backbone interact. energy: -0.012
local terms energy: -60.582987
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -10.807
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: 6, replica: 9
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -184.957305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.957305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.957305 (E_RNA)
where:
Base-Base interactions energy: -119.673
where: short stacking energy: -55.101
Base-Backbone interact. energy: -0.884
local terms energy: -64.400508
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -2.835
tors. eta vs tors. theta energy: -17.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -160.693218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.693218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.693218 (E_RNA)
where:
Base-Base interactions energy: -90.495
where: short stacking energy: -48.076
Base-Backbone interact. energy: -0.043
local terms energy: -70.155427
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -14.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -85.990802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.990802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.990802 (E_RNA)
where:
Base-Base interactions energy: -29.602
where: short stacking energy: -28.584
Base-Backbone interact. energy: -0.180
local terms energy: -56.208102
where:
bonds (distance) C4'-P energy: -17.774
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -3.685
tors. eta vs tors. theta energy: -7.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -90.976952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.976952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.976952 (E_RNA)
where:
Base-Base interactions energy: -44.616
where: short stacking energy: -27.130
Base-Backbone interact. energy: -0.111
local terms energy: -46.249395
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -4.306
tors. eta vs tors. theta energy: -1.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -76.912950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.912950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.912950 (E_RNA)
where:
Base-Base interactions energy: -30.769
where: short stacking energy: -30.769
Base-Backbone interact. energy: -0.188
local terms energy: -45.955061
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -10.216
flat angles C4'-P-C4' energy: -10.040
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -1.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -224.239306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.239306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.239306 (E_RNA)
where:
Base-Base interactions energy: -146.306
where: short stacking energy: -68.456
Base-Backbone interact. energy: -0.466
local terms energy: -77.466750
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -21.738
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: 1
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -213.941168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.941168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.941168 (E_RNA)
where:
Base-Base interactions energy: -134.991
where: short stacking energy: -63.241
Base-Backbone interact. energy: -1.115
local terms energy: -77.834895
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -17.478
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -18.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -213.472269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.472269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.472269 (E_RNA)
where:
Base-Base interactions energy: -145.015
where: short stacking energy: -57.472
Base-Backbone interact. energy: -0.095
local terms energy: -68.361774
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -9.707
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: 4, replica: 8
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -207.070172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.070172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.070172 (E_RNA)
where:
Base-Base interactions energy: -134.986
where: short stacking energy: -59.711
Base-Backbone interact. energy: -0.046
local terms energy: -72.038507
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -14.562
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: 10
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -143.054622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.054622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.054622 (E_RNA)
where:
Base-Base interactions energy: -84.904
where: short stacking energy: -45.041
Base-Backbone interact. energy: -1.007
local terms energy: -57.142988
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -9.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -151.099199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.099199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.099199 (E_RNA)
where:
Base-Base interactions energy: -88.112
where: short stacking energy: -49.406
Base-Backbone interact. energy: -0.149
local terms energy: -62.837852
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -6.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -151.330208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.330208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.330208 (E_RNA)
where:
Base-Base interactions energy: -94.950
where: short stacking energy: -44.565
Base-Backbone interact. energy: -1.607
local terms energy: -54.772730
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -8.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -86.925290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.925290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.925290 (E_RNA)
where:
Base-Base interactions energy: -37.093
where: short stacking energy: -20.388
Base-Backbone interact. energy: -0.275
local terms energy: -49.556767
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -10.349
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -1.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -84.699940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.699940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.699940 (E_RNA)
where:
Base-Base interactions energy: -26.337
where: short stacking energy: -26.337
Base-Backbone interact. energy: 0.353
local terms energy: -58.716428
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -6.862
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: 10, replica: 2
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -82.861266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.861266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.861266 (E_RNA)
where:
Base-Base interactions energy: -31.052
where: short stacking energy: -26.778
Base-Backbone interact. energy: -0.099
local terms energy: -51.709822
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -10.610
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -6.188
tors. eta vs tors. theta energy: -7.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -222.151505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.151505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.151505 (E_RNA)
where:
Base-Base interactions energy: -142.213
where: short stacking energy: -64.140
Base-Backbone interact. energy: -0.005
local terms energy: -79.933829
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -14.509
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -14.689
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: 2, replica: 7
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -229.565273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.565273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.565273 (E_RNA)
where:
Base-Base interactions energy: -151.259
where: short stacking energy: -68.327
Base-Backbone interact. energy: 0.062
local terms energy: -78.368866
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -23.000
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: 8
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -204.361610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.361610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.361610 (E_RNA)
where:
Base-Base interactions energy: -128.546
where: short stacking energy: -64.415
Base-Backbone interact. energy: -0.014
local terms energy: -75.801754
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -16.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -200.730023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.730023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.730023 (E_RNA)
where:
Base-Base interactions energy: -135.658
where: short stacking energy: -53.421
Base-Backbone interact. energy: -0.874
local terms energy: -64.198358
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -9.379
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: 6
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -181.080205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.080205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.080205 (E_RNA)
where:
Base-Base interactions energy: -109.286
where: short stacking energy: -58.172
Base-Backbone interact. energy: -0.082
local terms energy: -71.711859
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -11.361
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -17.477
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: 6, replica: 10
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -148.204102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.204102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.204102 (E_RNA)
where:
Base-Base interactions energy: -89.533
where: short stacking energy: -46.162
Base-Backbone interact. energy: -0.420
local terms energy: -58.251437
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -8.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -135.321367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.321367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.321367 (E_RNA)
where:
Base-Base interactions energy: -84.492
where: short stacking energy: -42.242
Base-Backbone interact. energy: -0.200
local terms energy: -50.629629
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -16.500
flat angles C4'-P-C4' energy: -10.728
flat angles P-C4'-P energy: -4.824
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: 3
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -78.918529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.918529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.918529 (E_RNA)
where:
Base-Base interactions energy: -26.354
where: short stacking energy: -23.519
Base-Backbone interact. energy: -0.036
local terms energy: -52.528256
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -2.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -96.581132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.581132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.581132 (E_RNA)
where:
Base-Base interactions energy: -52.773
where: short stacking energy: -24.617
Base-Backbone interact. energy: 0.790
local terms energy: -44.598150
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -9.333
flat angles C4'-P-C4' energy: -10.580
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -0.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -90.645834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.645834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.645834 (E_RNA)
where:
Base-Base interactions energy: -29.440
where: short stacking energy: -28.550
Base-Backbone interact. energy: -0.853
local terms energy: -60.353176
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -8.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -226.431831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.431831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.431831 (E_RNA)
where:
Base-Base interactions energy: -154.648
where: short stacking energy: -61.691
Base-Backbone interact. energy: -0.614
local terms energy: -71.169748
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -5.774
tors. eta vs tors. theta energy: -19.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -223.894358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.894358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.894358 (E_RNA)
where:
Base-Base interactions energy: -149.746
where: short stacking energy: -63.437
Base-Backbone interact. energy: -0.044
local terms energy: -74.104185
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -18.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -218.667666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.667666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.667666 (E_RNA)
where:
Base-Base interactions energy: -145.423
where: short stacking energy: -64.327
Base-Backbone interact. energy: -0.281
local terms energy: -72.963906
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -4.624
tors. eta vs tors. theta energy: -20.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -190.575764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.575764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.575764 (E_RNA)
where:
Base-Base interactions energy: -112.328
where: short stacking energy: -63.434
Base-Backbone interact. energy: -0.462
local terms energy: -77.786008
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -18.132
flat angles P-C4'-P energy: -11.852
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: 5, replica: 5
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -196.051565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.051565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.051565 (E_RNA)
where:
Base-Base interactions energy: -132.864
where: short stacking energy: -49.065
Base-Backbone interact. energy: 0.110
local terms energy: -63.297503
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -11.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -157.286572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.286572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.286572 (E_RNA)
where:
Base-Base interactions energy: -96.867
where: short stacking energy: -48.098
Base-Backbone interact. energy: -0.507
local terms energy: -59.913161
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -12.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -128.233670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.233670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.233670 (E_RNA)
where:
Base-Base interactions energy: -69.719
where: short stacking energy: -31.847
Base-Backbone interact. energy: 1.033
local terms energy: -59.547413
where:
bonds (distance) C4'-P energy: -10.421
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -6.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -110.611860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.611860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.611860 (E_RNA)
where:
Base-Base interactions energy: -60.564
where: short stacking energy: -23.870
Base-Backbone interact. energy: -1.113
local terms energy: -48.934349
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -12.270
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -10.953
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: 9, replica: 3
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -75.974597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.974597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.974597 (E_RNA)
where:
Base-Base interactions energy: -29.295
where: short stacking energy: -29.295
Base-Backbone interact. energy: -0.177
local terms energy: -46.502067
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -8.459
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -5.461
tors. eta vs tors. theta energy: -3.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -82.243862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.243862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.243862 (E_RNA)
where:
Base-Base interactions energy: -42.371
where: short stacking energy: -38.774
Base-Backbone interact. energy: -1.036
local terms energy: -38.836809
where:
bonds (distance) C4'-P energy: -8.945
bonds (distance) P-C4' energy: -11.002
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -4.076
tors. eta vs tors. theta energy: -1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -226.673125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.673125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.673125 (E_RNA)
where:
Base-Base interactions energy: -151.115
where: short stacking energy: -74.565
Base-Backbone interact. energy: -0.009
local terms energy: -75.549181
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -22.676
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: 2, replica: 1
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -220.242662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.242662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.242662 (E_RNA)
where:
Base-Base interactions energy: -145.768
where: short stacking energy: -63.506
Base-Backbone interact. energy: 0.187
local terms energy: -74.662003
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -21.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -208.683150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.683150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.683150 (E_RNA)
where:
Base-Base interactions energy: -140.169
where: short stacking energy: -67.767
Base-Backbone interact. energy: -0.018
local terms energy: -68.496796
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -10.230
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -22.345
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: 4, replica: 6
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -178.051246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.051246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.051246 (E_RNA)
where:
Base-Base interactions energy: -108.134
where: short stacking energy: -52.623
Base-Backbone interact. energy: -0.201
local terms energy: -69.716307
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -14.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -189.739422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.739422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.739422 (E_RNA)
where:
Base-Base interactions energy: -139.997
where: short stacking energy: -53.816
Base-Backbone interact. energy: -0.155
local terms energy: -49.586828
where:
bonds (distance) C4'-P energy: -10.460
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -4.354
tors. eta vs tors. theta energy: -3.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -144.134876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.134876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.134876 (E_RNA)
where:
Base-Base interactions energy: -81.652
where: short stacking energy: -41.537
Base-Backbone interact. energy: -0.388
local terms energy: -62.094456
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -10.441
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: 7, replica: 9
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -97.957167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.957167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.957167 (E_RNA)
where:
Base-Base interactions energy: -56.103
where: short stacking energy: -35.143
Base-Backbone interact. energy: -0.257
local terms energy: -41.596837
where:
bonds (distance) C4'-P energy: -6.044
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -6.056
tors. eta vs tors. theta energy: -6.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -86.247372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.247372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.247372 (E_RNA)
where:
Base-Base interactions energy: -24.849
where: short stacking energy: -19.901
Base-Backbone interact. energy: -0.010
local terms energy: -61.388648
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -3.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -89.374649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.374649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.374649 (E_RNA)
where:
Base-Base interactions energy: -29.994
where: short stacking energy: -26.665
Base-Backbone interact. energy: -0.114
local terms energy: -59.266962
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -4.490
tors. eta vs tors. theta energy: -7.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -68.560914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.560914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.560914 (E_RNA)
where:
Base-Base interactions energy: -22.266
where: short stacking energy: -22.266
Base-Backbone interact. energy: 0.309
local terms energy: -46.604406
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: 1.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -224.606243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.606243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.606243 (E_RNA)
where:
Base-Base interactions energy: -146.640
where: short stacking energy: -72.164
Base-Backbone interact. energy: -1.271
local terms energy: -76.694954
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -12.030
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -22.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -225.245479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.245479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.245479 (E_RNA)
where:
Base-Base interactions energy: -147.910
where: short stacking energy: -66.947
Base-Backbone interact. energy: -0.372
local terms energy: -76.963009
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -20.763
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: 1
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -213.886563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.886563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.886563 (E_RNA)
where:
Base-Base interactions energy: -136.058
where: short stacking energy: -65.258
Base-Backbone interact. energy: -0.035
local terms energy: -77.793362
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -11.874
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: 4, replica: 5
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -194.438852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.438852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.438852 (E_RNA)
where:
Base-Base interactions energy: -126.863
where: short stacking energy: -47.669
Base-Backbone interact. energy: -0.286
local terms energy: -67.289182
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -16.676
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -6.041
tors. eta vs tors. theta energy: -11.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -173.784106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.784106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.784106 (E_RNA)
where:
Base-Base interactions energy: -103.829
where: short stacking energy: -55.843
Base-Backbone interact. energy: -0.056
local terms energy: -69.899216
where:
bonds (distance) C4'-P energy: -11.011
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -18.176
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: 431
Temperature: 1.150000
Total energy: -147.215069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.215069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.215069 (E_RNA)
where:
Base-Base interactions energy: -84.583
where: short stacking energy: -43.963
Base-Backbone interact. energy: -0.210
local terms energy: -62.422493
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -6.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -119.865439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.865439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.865439 (E_RNA)
where:
Base-Base interactions energy: -65.416
where: short stacking energy: -39.618
Base-Backbone interact. energy: -0.202
local terms energy: -54.247582
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -9.175
flat angles P-C4'-P energy: -7.604
tors. eta vs tors. theta energy: -8.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -85.376428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.376428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.376428 (E_RNA)
where:
Base-Base interactions energy: -31.179
where: short stacking energy: -30.287
Base-Backbone interact. energy: -0.100
local terms energy: -54.097418
where:
bonds (distance) C4'-P energy: -10.564
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -5.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -83.377547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.377547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.377547 (E_RNA)
where:
Base-Base interactions energy: -27.887
where: short stacking energy: -25.944
Base-Backbone interact. energy: -0.674
local terms energy: -54.816794
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -10.982
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -6.971
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: 10, replica: 4
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -70.828560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.828560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.828560 (E_RNA)
where:
Base-Base interactions energy: -23.846
where: short stacking energy: -21.745
Base-Backbone interact. energy: -0.693
local terms energy: -46.289029
where:
bonds (distance) C4'-P energy: -8.943
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: 1.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -224.205282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.205282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.205282 (E_RNA)
where:
Base-Base interactions energy: -154.991
where: short stacking energy: -67.626
Base-Backbone interact. energy: -0.033
local terms energy: -69.181481
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -20.192
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: 2, replica: 8
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -223.991918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.991918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.991918 (E_RNA)
where:
Base-Base interactions energy: -144.647
where: short stacking energy: -66.443
Base-Backbone interact. energy: -0.651
local terms energy: -78.693659
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -20.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -210.940955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.940955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.940955 (E_RNA)
where:
Base-Base interactions energy: -140.150
where: short stacking energy: -67.570
Base-Backbone interact. energy: -0.011
local terms energy: -70.780069
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -13.587
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: 5
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -198.206469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.206469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.206469 (E_RNA)
where:
Base-Base interactions energy: -137.712
where: short stacking energy: -52.761
Base-Backbone interact. energy: -1.549
local terms energy: -58.945400
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -5.712
tors. eta vs tors. theta energy: -9.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -168.704793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.704793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.704793 (E_RNA)
where:
Base-Base interactions energy: -106.153
where: short stacking energy: -61.287
Base-Backbone interact. energy: 0.078
local terms energy: -62.630373
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -10.640
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: 10
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -157.680565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.680565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.680565 (E_RNA)
where:
Base-Base interactions energy: -97.926
where: short stacking energy: -53.564
Base-Backbone interact. energy: -0.005
local terms energy: -59.749477
where:
bonds (distance) C4'-P energy: -10.735
bonds (distance) P-C4' energy: -10.024
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -15.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -107.674248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.674248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.674248 (E_RNA)
where:
Base-Base interactions energy: -57.638
where: short stacking energy: -45.354
Base-Backbone interact. energy: -0.187
local terms energy: -49.849768
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -10.229
flat angles C4'-P-C4' energy: -8.777
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -10.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -99.307858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.307858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.307858 (E_RNA)
where:
Base-Base interactions energy: -51.384
where: short stacking energy: -27.694
Base-Backbone interact. energy: -0.235
local terms energy: -47.689130
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -8.243
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -6.820
tors. eta vs tors. theta energy: -4.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -78.848961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.848961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.848961 (E_RNA)
where:
Base-Base interactions energy: -25.353
where: short stacking energy: -21.888
Base-Backbone interact. energy: -0.164
local terms energy: -53.331534
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -3.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -68.670466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.670466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.670466 (E_RNA)
where:
Base-Base interactions energy: -24.700
where: short stacking energy: -21.828
Base-Backbone interact. energy: -0.018
local terms energy: -43.952270
where:
bonds (distance) C4'-P energy: -8.903
bonds (distance) P-C4' energy: -12.131
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -1.651
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: 7
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -227.463323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.463323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.463323 (E_RNA)
where:
Base-Base interactions energy: -146.483
where: short stacking energy: -71.241
Base-Backbone interact. energy: -0.675
local terms energy: -80.305477
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -22.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -214.957749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.957749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.957749 (E_RNA)
where:
Base-Base interactions energy: -141.436
where: short stacking energy: -59.268
Base-Backbone interact. energy: -0.259
local terms energy: -73.262534
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -9.972
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: 3, replica: 1
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -203.898346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.898346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.898346 (E_RNA)
where:
Base-Base interactions energy: -126.191
where: short stacking energy: -69.106
Base-Backbone interact. energy: -0.003
local terms energy: -77.703769
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -15.008
tors. eta vs tors. theta energy: -17.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -204.576262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.576262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.576262 (E_RNA)
where:
Base-Base interactions energy: -133.206
where: short stacking energy: -61.624
Base-Backbone interact. energy: 0.652
local terms energy: -72.021950
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -19.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -174.550807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.550807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.550807 (E_RNA)
where:
Base-Base interactions energy: -100.217
where: short stacking energy: -48.861
Base-Backbone interact. energy: -0.689
local terms energy: -73.644028
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -16.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -150.417783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.417783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.417783 (E_RNA)
where:
Base-Base interactions energy: -95.126
where: short stacking energy: -46.678
Base-Backbone interact. energy: -0.309
local terms energy: -54.983478
where:
bonds (distance) C4'-P energy: -9.578
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -7.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -94.087057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.087057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.087057 (E_RNA)
where:
Base-Base interactions energy: -42.053
where: short stacking energy: -33.921
Base-Backbone interact. energy: 0.513
local terms energy: -52.547585
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -10.727
flat angles P-C4'-P energy: -13.567
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: 8, replica: 9
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -95.633655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.633655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.633655 (E_RNA)
where:
Base-Base interactions energy: -46.206
where: short stacking energy: -30.482
Base-Backbone interact. energy: -0.329
local terms energy: -49.098319
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -10.343
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -8.799
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: 4
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -82.244074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.244074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.244074 (E_RNA)
where:
Base-Base interactions energy: -29.678
where: short stacking energy: -29.678
Base-Backbone interact. energy: -0.191
local terms energy: -52.374791
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -12.178
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -1.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -79.704481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.704481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.704481 (E_RNA)
where:
Base-Base interactions energy: -28.270
where: short stacking energy: -20.825
Base-Backbone interact. energy: 0.291
local terms energy: -51.725259
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -3.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -224.021020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.021020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.021020 (E_RNA)
where:
Base-Base interactions energy: -143.168
where: short stacking energy: -71.375
Base-Backbone interact. energy: -0.004
local terms energy: -80.848677
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -21.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -221.120749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.120749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.120749 (E_RNA)
where:
Base-Base interactions energy: -144.658
where: short stacking energy: -77.414
Base-Backbone interact. energy: -0.002
local terms energy: -76.460498
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -20.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -209.117281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.117281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.117281 (E_RNA)
where:
Base-Base interactions energy: -139.241
where: short stacking energy: -57.236
Base-Backbone interact. energy: -1.615
local terms energy: -68.261748
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -15.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -195.365909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.365909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.365909 (E_RNA)
where:
Base-Base interactions energy: -127.021
where: short stacking energy: -55.024
Base-Backbone interact. energy: -0.608
local terms energy: -67.736217
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -16.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -159.538484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.538484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.538484 (E_RNA)
where:
Base-Base interactions energy: -94.436
where: short stacking energy: -41.391
Base-Backbone interact. energy: -0.006
local terms energy: -65.096779
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -11.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -138.135369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.135369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.135369 (E_RNA)
where:
Base-Base interactions energy: -74.550
where: short stacking energy: -38.904
Base-Backbone interact. energy: -0.200
local terms energy: -63.385212
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -7.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -88.516619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.516619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.516619 (E_RNA)
where:
Base-Base interactions energy: -34.019
where: short stacking energy: -28.819
Base-Backbone interact. energy: 0.866
local terms energy: -55.363494
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -16.662
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: 0.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -93.729659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.729659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.729659 (E_RNA)
where:
Base-Base interactions energy: -35.761
where: short stacking energy: -18.470
Base-Backbone interact. energy: -0.058
local terms energy: -57.910320
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -2.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -98.929045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.929045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.929045 (E_RNA)
where:
Base-Base interactions energy: -40.880
where: short stacking energy: -32.112
Base-Backbone interact. energy: -0.063
local terms energy: -57.985771
where:
bonds (distance) C4'-P energy: -10.552
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -14.253
tors. eta vs tors. theta energy: -1.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -89.333872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.333872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.333872 (E_RNA)
where:
Base-Base interactions energy: -32.747
where: short stacking energy: -32.747
Base-Backbone interact. energy: -0.085
local terms energy: -56.501868
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -11.983
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -10.073
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: 8
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -228.582331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.582331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.582331 (E_RNA)
where:
Base-Base interactions energy: -147.454
where: short stacking energy: -66.836
Base-Backbone interact. energy: -0.011
local terms energy: -81.117746
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -24.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -218.961809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.961809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.961809 (E_RNA)
where:
Base-Base interactions energy: -143.456
where: short stacking energy: -71.387
Base-Backbone interact. energy: -0.033
local terms energy: -75.472388
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -8.202
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: 5
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -198.111642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.111642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.111642 (E_RNA)
where:
Base-Base interactions energy: -132.679
where: short stacking energy: -56.374
Base-Backbone interact. energy: -0.098
local terms energy: -65.334935
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -14.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -201.966335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.966335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.966335 (E_RNA)
where:
Base-Base interactions energy: -134.133
where: short stacking energy: -62.031
Base-Backbone interact. energy: -0.062
local terms energy: -67.770992
where:
bonds (distance) C4'-P energy: -8.983
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -19.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -158.482663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.482663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.482663 (E_RNA)
where:
Base-Base interactions energy: -94.312
where: short stacking energy: -54.041
Base-Backbone interact. energy: 0.080
local terms energy: -64.250492
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -8.844
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: 6, replica: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -156.239504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.239504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.239504 (E_RNA)
where:
Base-Base interactions energy: -99.639
where: short stacking energy: -48.016
Base-Backbone interact. energy: -0.322
local terms energy: -56.278022
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -11.612
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -8.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -87.032258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.032258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.032258 (E_RNA)
where:
Base-Base interactions energy: -31.497
where: short stacking energy: -28.737
Base-Backbone interact. energy: -0.099
local terms energy: -55.436064
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -4.974
tors. eta vs tors. theta energy: -7.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -103.744629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.744629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.744629 (E_RNA)
where:
Base-Base interactions energy: -54.101
where: short stacking energy: -29.680
Base-Backbone interact. energy: -0.451
local terms energy: -49.192229
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -12.046
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -4.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -80.342651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.342651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.342651 (E_RNA)
where:
Base-Base interactions energy: -30.097
where: short stacking energy: -19.301
Base-Backbone interact. energy: 0.734
local terms energy: -50.979944
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -0.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -83.491697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.491697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.491697 (E_RNA)
where:
Base-Base interactions energy: -43.835
where: short stacking energy: -19.924
Base-Backbone interact. energy: 0.479
local terms energy: -40.135345
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -8.825
flat angles P-C4'-P energy: -4.500
tors. eta vs tors. theta energy: 3.034
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: 1, replica: 7
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -222.399569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.399569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.399569 (E_RNA)
where:
Base-Base interactions energy: -140.347
where: short stacking energy: -65.957
Base-Backbone interact. energy: -1.074
local terms energy: -80.977933
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -19.019
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -21.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -215.850353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.850353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.850353 (E_RNA)
where:
Base-Base interactions energy: -145.251
where: short stacking energy: -69.278
Base-Backbone interact. energy: -0.003
local terms energy: -70.596814
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -8.060
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: 1
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -199.783015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.783015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.783015 (E_RNA)
where:
Base-Base interactions energy: -129.724
where: short stacking energy: -52.634
Base-Backbone interact. energy: -0.039
local terms energy: -70.020088
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -19.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -214.480847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.480847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.480847 (E_RNA)
where:
Base-Base interactions energy: -150.459
where: short stacking energy: -66.538
Base-Backbone interact. energy: -0.075
local terms energy: -63.946622
where:
bonds (distance) C4'-P energy: -8.999
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -13.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -155.657358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.657358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.657358 (E_RNA)
where:
Base-Base interactions energy: -95.798
where: short stacking energy: -39.158
Base-Backbone interact. energy: -0.101
local terms energy: -59.758420
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -8.284
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -10.380
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: 6
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -158.709641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.709641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.709641 (E_RNA)
where:
Base-Base interactions energy: -92.676
where: short stacking energy: -49.249
Base-Backbone interact. energy: -0.655
local terms energy: -65.379053
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -13.594
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: 2
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -94.215292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.215292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.215292 (E_RNA)
where:
Base-Base interactions energy: -50.445
where: short stacking energy: -39.698
Base-Backbone interact. energy: -0.054
local terms energy: -43.716088
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -13.158
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: 0.286
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: 3
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -83.163509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.163509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.163509 (E_RNA)
where:
Base-Base interactions energy: -36.073
where: short stacking energy: -36.073
Base-Backbone interact. energy: -0.072
local terms energy: -47.018769
where:
bonds (distance) C4'-P energy: -10.080
bonds (distance) P-C4' energy: -11.656
flat angles C4'-P-C4' energy: -10.115
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -7.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -87.060790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.060790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.060790 (E_RNA)
where:
Base-Base interactions energy: -36.103
where: short stacking energy: -35.158
Base-Backbone interact. energy: -0.060
local terms energy: -50.898113
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -8.332
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -70.757779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.757779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.757779 (E_RNA)
where:
Base-Base interactions energy: -20.579
where: short stacking energy: -18.978
Base-Backbone interact. energy: -0.089
local terms energy: -50.089266
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -10.765
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: 0.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -224.535465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.535465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.535465 (E_RNA)
where:
Base-Base interactions energy: -146.301
where: short stacking energy: -66.748
Base-Backbone interact. energy: -0.474
local terms energy: -77.759941
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -22.013
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: 2, replica: 1
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -217.501644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.501644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.501644 (E_RNA)
where:
Base-Base interactions energy: -144.617
where: short stacking energy: -56.174
Base-Backbone interact. energy: -0.648
local terms energy: -72.236779
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -17.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -209.683988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.683988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.683988 (E_RNA)
where:
Base-Base interactions energy: -138.567
where: short stacking energy: -62.170
Base-Backbone interact. energy: -0.150
local terms energy: -70.967603
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -14.380
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: 5
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -222.182713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.182713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.182713 (E_RNA)
where:
Base-Base interactions energy: -140.689
where: short stacking energy: -70.950
Base-Backbone interact. energy: -0.008
local terms energy: -81.485756
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: -20.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -172.892568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.892568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.892568 (E_RNA)
where:
Base-Base interactions energy: -118.689
where: short stacking energy: -47.762
Base-Backbone interact. energy: 0.073
local terms energy: -54.276872
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -5.594
tors. eta vs tors. theta energy: -8.893
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: 6, replica: 6
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -157.910521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.910521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.910521 (E_RNA)
where:
Base-Base interactions energy: -84.983
where: short stacking energy: -44.615
Base-Backbone interact. energy: -0.068
local terms energy: -72.859309
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -14.368
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: 2
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -88.239667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.239667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.239667 (E_RNA)
where:
Base-Base interactions energy: -31.610
where: short stacking energy: -32.894
Base-Backbone interact. energy: -0.825
local terms energy: -55.804031
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -6.364
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: 4
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -100.702922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.702922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.702922 (E_RNA)
where:
Base-Base interactions energy: -50.169
where: short stacking energy: -33.375
Base-Backbone interact. energy: -0.196
local terms energy: -50.337802
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -0.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -75.871002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.871002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.871002 (E_RNA)
where:
Base-Base interactions energy: -29.766
where: short stacking energy: -26.323
Base-Backbone interact. energy: 2.053
local terms energy: -48.157119
where:
bonds (distance) C4'-P energy: -8.680
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -9.691
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: 10, replica: 9
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -75.051940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.051940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.051940 (E_RNA)
where:
Base-Base interactions energy: -22.396
where: short stacking energy: -22.396
Base-Backbone interact. energy: 1.438
local terms energy: -54.094063
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -19.374
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -5.522
tors. eta vs tors. theta energy: -3.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -219.738159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.738159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.738159 (E_RNA)
where:
Base-Base interactions energy: -148.325
where: short stacking energy: -61.049
Base-Backbone interact. energy: -0.599
local terms energy: -70.814912
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -18.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -222.679863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.679863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.679863 (E_RNA)
where:
Base-Base interactions energy: -147.145
where: short stacking energy: -68.601
Base-Backbone interact. energy: -0.076
local terms energy: -75.459147
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -10.033
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: 3, replica: 5
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -195.613121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.613121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.613121 (E_RNA)
where:
Base-Base interactions energy: -123.556
where: short stacking energy: -50.565
Base-Backbone interact. energy: -0.050
local terms energy: -72.007476
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -16.402
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: 4, replica: 8
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -208.419385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.419385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.419385 (E_RNA)
where:
Base-Base interactions energy: -136.131
where: short stacking energy: -67.198
Base-Backbone interact. energy: 0.669
local terms energy: -72.956658
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -16.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -157.899676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.899676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.899676 (E_RNA)
where:
Base-Base interactions energy: -92.858
where: short stacking energy: -49.513
Base-Backbone interact. energy: 0.381
local terms energy: -65.422090
where:
bonds (distance) C4'-P energy: -8.941
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -13.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -165.654611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.654611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.654611 (E_RNA)
where:
Base-Base interactions energy: -103.252
where: short stacking energy: -54.006
Base-Backbone interact. energy: -0.215
local terms energy: -62.188141
where:
bonds (distance) C4'-P energy: -9.577
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -10.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -108.051435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.051435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.051435 (E_RNA)
where:
Base-Base interactions energy: -51.387
where: short stacking energy: -40.707
Base-Backbone interact. energy: -0.024
local terms energy: -56.640693
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -12.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -84.829445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.829445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.829445 (E_RNA)
where:
Base-Base interactions energy: -31.920
where: short stacking energy: -31.920
Base-Backbone interact. energy: -0.019
local terms energy: -52.890540
where:
bonds (distance) C4'-P energy: -9.499
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -5.838
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: 438
Temperature: 1.300000
Total energy: -83.302566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.302566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.302566 (E_RNA)
where:
Base-Base interactions energy: -28.404
where: short stacking energy: -26.791
Base-Backbone interact. energy: -0.211
local terms energy: -54.687769
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -10.624
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -5.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -83.266507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.266507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.266507 (E_RNA)
where:
Base-Base interactions energy: -28.474
where: short stacking energy: -28.474
Base-Backbone interact. energy: -0.071
local terms energy: -54.722039
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -5.577
tors. eta vs tors. theta energy: -5.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -227.434612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.434612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.434612 (E_RNA)
where:
Base-Base interactions energy: -151.894
where: short stacking energy: -73.265
Base-Backbone interact. energy: -0.777
local terms energy: -74.762867
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -20.982
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: 7
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -223.334828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.334828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.334828 (E_RNA)
where:
Base-Base interactions energy: -150.885
where: short stacking energy: -66.627
Base-Backbone interact. energy: -0.914
local terms energy: -71.535017
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -11.638
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -20.330
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: 5
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -203.457395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.457395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.457395 (E_RNA)
where:
Base-Base interactions energy: -132.329
where: short stacking energy: -53.513
Base-Backbone interact. energy: -0.204
local terms energy: -70.923852
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -11.781
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -16.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -199.026870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.026870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.026870 (E_RNA)
where:
Base-Base interactions energy: -128.252
where: short stacking energy: -63.035
Base-Backbone interact. energy: -0.039
local terms energy: -70.736104
where:
bonds (distance) C4'-P energy: -9.885
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -16.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -178.207996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.207996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.207996 (E_RNA)
where:
Base-Base interactions energy: -115.413
where: short stacking energy: -57.450
Base-Backbone interact. energy: -0.560
local terms energy: -62.235132
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -6.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -155.567476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.567476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.567476 (E_RNA)
where:
Base-Base interactions energy: -97.348
where: short stacking energy: -46.743
Base-Backbone interact. energy: 0.781
local terms energy: -59.000489
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -11.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -112.611490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.611490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.611490 (E_RNA)
where:
Base-Base interactions energy: -72.033
where: short stacking energy: -32.413
Base-Backbone interact. energy: -0.848
local terms energy: -39.730871
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -6.360
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: 0.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -79.924341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.924341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.924341 (E_RNA)
where:
Base-Base interactions energy: -25.644
where: short stacking energy: -23.919
Base-Backbone interact. energy: -0.390
local terms energy: -53.890475
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -4.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -82.854534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.854534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.854534 (E_RNA)
where:
Base-Base interactions energy: -43.406
where: short stacking energy: -41.827
Base-Backbone interact. energy: -0.250
local terms energy: -39.197801
where:
bonds (distance) C4'-P energy: -7.118
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -8.741
flat angles P-C4'-P energy: -4.847
tors. eta vs tors. theta energy: -4.554
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: 3
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -74.271965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.271965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.271965 (E_RNA)
where:
Base-Base interactions energy: -34.699
where: short stacking energy: -20.313
Base-Backbone interact. energy: 0.975
local terms energy: -40.547593
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -7.619
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: 0.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -223.646970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.646970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.646970 (E_RNA)
where:
Base-Base interactions energy: -142.825
where: short stacking energy: -67.056
Base-Backbone interact. energy: -0.734
local terms energy: -80.088370
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -22.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -223.176842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.176842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.176842 (E_RNA)
where:
Base-Base interactions energy: -145.252
where: short stacking energy: -72.202
Base-Backbone interact. energy: -0.011
local terms energy: -77.912953
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -23.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -206.514743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.514743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.514743 (E_RNA)
where:
Base-Base interactions energy: -136.006
where: short stacking energy: -66.616
Base-Backbone interact. energy: -0.016
local terms energy: -70.492487
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -13.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -189.733586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.733586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.733586 (E_RNA)
where:
Base-Base interactions energy: -125.186
where: short stacking energy: -61.571
Base-Backbone interact. energy: -0.047
local terms energy: -64.500339
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -12.626
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: 6
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -172.764228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.764228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.764228 (E_RNA)
where:
Base-Base interactions energy: -105.243
where: short stacking energy: -58.432
Base-Backbone interact. energy: 0.337
local terms energy: -67.857714
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -14.315
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: 440
Temperature: 1.150000
Total energy: -156.059696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.059696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.059696 (E_RNA)
where:
Base-Base interactions energy: -94.014
where: short stacking energy: -46.571
Base-Backbone interact. energy: -0.086
local terms energy: -61.958827
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -11.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -98.371168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.371168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.371168 (E_RNA)
where:
Base-Base interactions energy: -38.753
where: short stacking energy: -29.691
Base-Backbone interact. energy: -0.057
local terms energy: -59.561046
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -2.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -123.489925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.489925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.489925 (E_RNA)
where:
Base-Base interactions energy: -67.669
where: short stacking energy: -33.595
Base-Backbone interact. energy: -0.094
local terms energy: -55.727187
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -10.472
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -78.799549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.799549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.799549 (E_RNA)
where:
Base-Base interactions energy: -27.809
where: short stacking energy: -27.678
Base-Backbone interact. energy: -0.289
local terms energy: -50.701919
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -4.877
tors. eta vs tors. theta energy: -3.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -74.825209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.825209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.825209 (E_RNA)
where:
Base-Base interactions energy: -26.457
where: short stacking energy: -26.007
Base-Backbone interact. energy: -0.090
local terms energy: -48.278610
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -9.449
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -4.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -220.580100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.580100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.580100 (E_RNA)
where:
Base-Base interactions energy: -144.981
where: short stacking energy: -72.156
Base-Backbone interact. energy: -0.217
local terms energy: -75.381886
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -19.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -211.932406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.932406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.932406 (E_RNA)
where:
Base-Base interactions energy: -137.598
where: short stacking energy: -62.107
Base-Backbone interact. energy: -0.083
local terms energy: -74.250563
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -15.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -210.010511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.010511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.010511 (E_RNA)
where:
Base-Base interactions energy: -136.464
where: short stacking energy: -64.051
Base-Backbone interact. energy: -0.010
local terms energy: -73.536907
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -17.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -182.781535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.781535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.781535 (E_RNA)
where:
Base-Base interactions energy: -116.311
where: short stacking energy: -53.247
Base-Backbone interact. energy: -0.356
local terms energy: -66.114546
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -10.663
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -12.977
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: 8
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -181.168503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.168503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.168503 (E_RNA)
where:
Base-Base interactions energy: -115.704
where: short stacking energy: -52.251
Base-Backbone interact. energy: -0.037
local terms energy: -65.427005
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -12.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -165.250406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.250406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.250406 (E_RNA)
where:
Base-Base interactions energy: -98.839
where: short stacking energy: -59.810
Base-Backbone interact. energy: -1.331
local terms energy: -65.079824
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -9.377
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -17.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -90.399660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.399660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.399660 (E_RNA)
where:
Base-Base interactions energy: -35.832
where: short stacking energy: -34.769
Base-Backbone interact. energy: -0.095
local terms energy: -54.472792
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -6.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -125.799763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.799763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.799763 (E_RNA)
where:
Base-Base interactions energy: -71.773
where: short stacking energy: -30.601
Base-Backbone interact. energy: -0.006
local terms energy: -54.020332
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -6.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -86.827741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.827741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.827741 (E_RNA)
where:
Base-Base interactions energy: -30.640
where: short stacking energy: -25.309
Base-Backbone interact. energy: -0.005
local terms energy: -56.183467
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -6.679
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: 2
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -80.578177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.578177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.578177 (E_RNA)
where:
Base-Base interactions energy: -33.513
where: short stacking energy: -32.052
Base-Backbone interact. energy: -0.250
local terms energy: -46.815102
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -6.313
flat angles P-C4'-P energy: -8.669
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: 1, replica: 5
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -208.346114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.346114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.346114 (E_RNA)
where:
Base-Base interactions energy: -136.663
where: short stacking energy: -65.148
Base-Backbone interact. energy: -0.002
local terms energy: -71.681030
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -14.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -216.406120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.406120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.406120 (E_RNA)
where:
Base-Base interactions energy: -143.117
where: short stacking energy: -67.655
Base-Backbone interact. energy: -0.019
local terms energy: -73.270187
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -8.543
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: 3, replica: 1
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -214.357195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.357195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.357195 (E_RNA)
where:
Base-Base interactions energy: -142.470
where: short stacking energy: -59.509
Base-Backbone interact. energy: -0.373
local terms energy: -71.514008
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -20.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -173.854410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.854410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.854410 (E_RNA)
where:
Base-Base interactions energy: -108.100
where: short stacking energy: -59.707
Base-Backbone interact. energy: -0.000
local terms energy: -65.754490
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -16.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -205.697972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.697972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.697972 (E_RNA)
where:
Base-Base interactions energy: -140.147
where: short stacking energy: -63.777
Base-Backbone interact. energy: -0.060
local terms energy: -65.490667
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -17.894
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -15.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -161.310531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.310531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.310531 (E_RNA)
where:
Base-Base interactions energy: -101.778
where: short stacking energy: -52.771
Base-Backbone interact. energy: -0.505
local terms energy: -59.028174
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -7.966
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -10.049
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: 7, replica: 4
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -133.081082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.081082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.081082 (E_RNA)
where:
Base-Base interactions energy: -74.667
where: short stacking energy: -43.234
Base-Backbone interact. energy: -0.072
local terms energy: -58.341473
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -8.346
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: 8, replica: 9
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -110.714077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.714077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.714077 (E_RNA)
where:
Base-Base interactions energy: -56.990
where: short stacking energy: -33.399
Base-Backbone interact. energy: -0.088
local terms energy: -53.636067
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -9.836
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -7.913
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: 3
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -77.484176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.484176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.484176 (E_RNA)
where:
Base-Base interactions energy: -31.659
where: short stacking energy: -24.794
Base-Backbone interact. energy: -0.020
local terms energy: -45.804645
where:
bonds (distance) C4'-P energy: -8.510
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -6.482
tors. eta vs tors. theta energy: -1.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -75.781538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.781538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.781538 (E_RNA)
where:
Base-Base interactions energy: -39.463
where: short stacking energy: -17.898
Base-Backbone interact. energy: -0.232
local terms energy: -36.086542
where:
bonds (distance) C4'-P energy: -9.607
bonds (distance) P-C4' energy: -7.090
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -6.204
tors. eta vs tors. theta energy: 0.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -208.204172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.204172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.204172 (E_RNA)
where:
Base-Base interactions energy: -127.601
where: short stacking energy: -63.590
Base-Backbone interact. energy: -0.020
local terms energy: -80.583437
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -19.764
flat angles P-C4'-P energy: -13.566
tors. eta vs tors. theta energy: -16.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -222.140110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.140110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.140110 (E_RNA)
where:
Base-Base interactions energy: -141.784
where: short stacking energy: -67.288
Base-Backbone interact. energy: -0.012
local terms energy: -80.344308
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -18.884
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -20.831
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: 1
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -212.012862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.012862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.012862 (E_RNA)
where:
Base-Base interactions energy: -142.245
where: short stacking energy: -72.912
Base-Backbone interact. energy: -0.024
local terms energy: -69.744001
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -21.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -208.867479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.867479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.867479 (E_RNA)
where:
Base-Base interactions energy: -137.563
where: short stacking energy: -55.411
Base-Backbone interact. energy: -0.038
local terms energy: -71.266623
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -14.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -173.304219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.304219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.304219 (E_RNA)
where:
Base-Base interactions energy: -105.508
where: short stacking energy: -58.180
Base-Backbone interact. energy: -0.000
local terms energy: -67.795932
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -10.686
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: 6, replica: 10
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -170.954277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.954277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.954277 (E_RNA)
where:
Base-Base interactions energy: -102.353
where: short stacking energy: -46.805
Base-Backbone interact. energy: -0.357
local terms energy: -68.243439
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -13.014
tors. eta vs tors. theta energy: -12.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -126.935522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.935522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.935522 (E_RNA)
where:
Base-Base interactions energy: -73.355
where: short stacking energy: -37.723
Base-Backbone interact. energy: -0.232
local terms energy: -53.349252
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -11.488
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -6.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -81.738253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.738253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.738253 (E_RNA)
where:
Base-Base interactions energy: -33.201
where: short stacking energy: -30.891
Base-Backbone interact. energy: -0.062
local terms energy: -48.475655
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -2.971
tors. eta vs tors. theta energy: -5.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -81.745664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.745664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.745664 (E_RNA)
where:
Base-Base interactions energy: -35.517
where: short stacking energy: -34.682
Base-Backbone interact. energy: -0.562
local terms energy: -45.666704
where:
bonds (distance) C4'-P energy: -9.925
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -10.260
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -5.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -81.102401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.102401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.102401 (E_RNA)
where:
Base-Base interactions energy: -34.858
where: short stacking energy: -34.376
Base-Backbone interact. energy: -0.105
local terms energy: -46.139539
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -11.457
flat angles C4'-P-C4' energy: -10.571
flat angles P-C4'-P energy: -4.861
tors. eta vs tors. theta energy: -5.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -227.630542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.630542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.630542 (E_RNA)
where:
Base-Base interactions energy: -150.706
where: short stacking energy: -65.468
Base-Backbone interact. energy: -0.294
local terms energy: -76.631191
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -17.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -208.071678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.071678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.071678 (E_RNA)
where:
Base-Base interactions energy: -131.464
where: short stacking energy: -65.589
Base-Backbone interact. energy: -0.010
local terms energy: -76.598260
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -11.029
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: 3, replica: 8
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -213.095230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.095230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.095230 (E_RNA)
where:
Base-Base interactions energy: -144.860
where: short stacking energy: -65.073
Base-Backbone interact. energy: -0.038
local terms energy: -68.197040
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -15.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -207.817079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.817079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.817079 (E_RNA)
where:
Base-Base interactions energy: -138.306
where: short stacking energy: -53.067
Base-Backbone interact. energy: -0.664
local terms energy: -68.847771
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -16.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -178.439945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.439945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.439945 (E_RNA)
where:
Base-Base interactions energy: -116.060
where: short stacking energy: -62.295
Base-Backbone interact. energy: 0.973
local terms energy: -63.352444
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -6.355
tors. eta vs tors. theta energy: -16.937
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: 10
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -168.235675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.235675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.235675 (E_RNA)
where:
Base-Base interactions energy: -100.054
where: short stacking energy: -51.983
Base-Backbone interact. energy: -0.097
local terms energy: -68.084785
where:
bonds (distance) C4'-P energy: -8.432
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -13.302
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: 444
Temperature: 1.200000
Total energy: -100.688615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.688615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.688615 (E_RNA)
where:
Base-Base interactions energy: -41.385
where: short stacking energy: -35.977
Base-Backbone interact. energy: -0.162
local terms energy: -59.142057
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -5.625
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: 4
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -133.456923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.456923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.456923 (E_RNA)
where:
Base-Base interactions energy: -84.994
where: short stacking energy: -44.549
Base-Backbone interact. energy: -0.439
local terms energy: -48.023976
where:
bonds (distance) C4'-P energy: -10.653
bonds (distance) P-C4' energy: -10.931
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -4.303
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: 2
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -92.416302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.416302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.416302 (E_RNA)
where:
Base-Base interactions energy: -33.992
where: short stacking energy: -31.350
Base-Backbone interact. energy: -1.141
local terms energy: -57.283451
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -7.721
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: 10, replica: 3
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -78.490590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.490590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.490590 (E_RNA)
where:
Base-Base interactions energy: -34.404
where: short stacking energy: -29.065
Base-Backbone interact. energy: -0.105
local terms energy: -43.981047
where:
bonds (distance) C4'-P energy: -4.072
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -1.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -223.404195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.404195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.404195 (E_RNA)
where:
Base-Base interactions energy: -147.854
where: short stacking energy: -58.087
Base-Backbone interact. energy: -0.074
local terms energy: -75.476023
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -17.665
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -15.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -215.573816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.573816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.573816 (E_RNA)
where:
Base-Base interactions energy: -145.013
where: short stacking energy: -62.946
Base-Backbone interact. energy: -0.336
local terms energy: -70.224565
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -17.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -198.828072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.828072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.828072 (E_RNA)
where:
Base-Base interactions energy: -131.594
where: short stacking energy: -63.027
Base-Backbone interact. energy: -0.073
local terms energy: -67.161210
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -16.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -210.584341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.584341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.584341 (E_RNA)
where:
Base-Base interactions energy: -140.993
where: short stacking energy: -55.788
Base-Backbone interact. energy: -0.022
local terms energy: -69.569199
where:
bonds (distance) C4'-P energy: -10.253
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -12.004
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: 5, replica: 6
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -161.807253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.807253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.807253 (E_RNA)
where:
Base-Base interactions energy: -99.119
where: short stacking energy: -53.677
Base-Backbone interact. energy: -0.080
local terms energy: -62.608205
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -14.537
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -8.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -178.361138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.361138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.361138 (E_RNA)
where:
Base-Base interactions energy: -101.918
where: short stacking energy: -49.857
Base-Backbone interact. energy: -0.025
local terms energy: -76.418361
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -11.548
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: 7, replica: 9
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -95.934949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.934949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.934949 (E_RNA)
where:
Base-Base interactions energy: -45.166
where: short stacking energy: -39.341
Base-Backbone interact. energy: -0.374
local terms energy: -50.394920
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -11.896
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -4.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -78.861878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.861878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.861878 (E_RNA)
where:
Base-Base interactions energy: -25.960
where: short stacking energy: -25.024
Base-Backbone interact. energy: -0.163
local terms energy: -52.738515
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -2.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -113.532500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.532500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.532500 (E_RNA)
where:
Base-Base interactions energy: -69.034
where: short stacking energy: -19.285
Base-Backbone interact. energy: -0.189
local terms energy: -44.310117
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -8.737
flat angles P-C4'-P energy: -4.330
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: 3
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -79.024614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.024614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.024614 (E_RNA)
where:
Base-Base interactions energy: -28.050
where: short stacking energy: -22.278
Base-Backbone interact. energy: -0.245
local terms energy: -50.729854
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -7.696
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: 7
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -222.650180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.650180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.650180 (E_RNA)
where:
Base-Base interactions energy: -148.009
where: short stacking energy: -72.535
Base-Backbone interact. energy: -0.100
local terms energy: -74.540666
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -18.843
flat angles P-C4'-P energy: -12.744
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: 8
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -215.982217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.982217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.982217 (E_RNA)
where:
Base-Base interactions energy: -146.921
where: short stacking energy: -66.994
Base-Backbone interact. energy: -0.082
local terms energy: -68.979252
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -16.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -205.188315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.188315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.188315 (E_RNA)
where:
Base-Base interactions energy: -137.777
where: short stacking energy: -63.070
Base-Backbone interact. energy: 0.800
local terms energy: -68.211142
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -15.398
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: 5
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -198.775665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.775665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.775665 (E_RNA)
where:
Base-Base interactions energy: -138.690
where: short stacking energy: -63.939
Base-Backbone interact. energy: -0.072
local terms energy: -60.014273
where:
bonds (distance) C4'-P energy: -9.616
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -18.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -168.798501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.798501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.798501 (E_RNA)
where:
Base-Base interactions energy: -98.390
where: short stacking energy: -58.215
Base-Backbone interact. energy: -0.078
local terms energy: -70.330468
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -12.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -164.582714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.582714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.582714 (E_RNA)
where:
Base-Base interactions energy: -102.613
where: short stacking energy: -56.883
Base-Backbone interact. energy: -0.060
local terms energy: -61.909746
where:
bonds (distance) C4'-P energy: -9.753
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -15.600
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: 2
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -83.627438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.627438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.627438 (E_RNA)
where:
Base-Base interactions energy: -29.218
where: short stacking energy: -24.119
Base-Backbone interact. energy: -0.038
local terms energy: -54.371270
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -6.338
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: 9
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -84.478765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.478765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.478765 (E_RNA)
where:
Base-Base interactions energy: -25.806
where: short stacking energy: -23.280
Base-Backbone interact. energy: -0.026
local terms energy: -58.647330
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -12.208
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: 9, replica: 3
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -103.038001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.038001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.038001 (E_RNA)
where:
Base-Base interactions energy: -44.143
where: short stacking energy: -41.208
Base-Backbone interact. energy: -0.186
local terms energy: -58.709499
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -7.256
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -10.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -76.316049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.316049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.316049 (E_RNA)
where:
Base-Base interactions energy: -24.379
where: short stacking energy: -24.779
Base-Backbone interact. energy: -0.201
local terms energy: -51.736699
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -4.592
tors. eta vs tors. theta energy: -4.311
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: 7
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -226.004616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.004616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.004616 (E_RNA)
where:
Base-Base interactions energy: -146.478
where: short stacking energy: -77.264
Base-Backbone interact. energy: -0.037
local terms energy: -79.490194
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -23.208
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: 1
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -199.635984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.635984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.635984 (E_RNA)
where:
Base-Base interactions energy: -128.649
where: short stacking energy: -59.918
Base-Backbone interact. energy: -0.323
local terms energy: -70.664402
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -10.802
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -19.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -215.955483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.955483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.955483 (E_RNA)
where:
Base-Base interactions energy: -143.247
where: short stacking energy: -66.620
Base-Backbone interact. energy: -0.367
local terms energy: -72.340922
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -10.934
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: 4, replica: 5
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -193.929668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.929668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.929668 (E_RNA)
where:
Base-Base interactions energy: -129.193
where: short stacking energy: -54.827
Base-Backbone interact. energy: -0.203
local terms energy: -64.533956
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -10.097
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -18.167
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: 5, replica: 10
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -179.203759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.203759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.203759 (E_RNA)
where:
Base-Base interactions energy: -111.612
where: short stacking energy: -63.757
Base-Backbone interact. energy: -1.071
local terms energy: -66.520915
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -16.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -175.182247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.182247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.182247 (E_RNA)
where:
Base-Base interactions energy: -113.674
where: short stacking energy: -46.831
Base-Backbone interact. energy: -0.173
local terms energy: -61.334732
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -9.469
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: 7, replica: 2
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -103.547461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.547461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.547461 (E_RNA)
where:
Base-Base interactions energy: -48.538
where: short stacking energy: -44.151
Base-Backbone interact. energy: -1.047
local terms energy: -53.962279
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -3.509
tors. eta vs tors. theta energy: -5.548
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: 8, replica: 3
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -92.959335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.959335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.959335 (E_RNA)
where:
Base-Base interactions energy: -42.776
where: short stacking energy: -42.776
Base-Backbone interact. energy: -0.043
local terms energy: -50.139684
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -5.420
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: 9, replica: 9
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -84.285368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.285368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.285368 (E_RNA)
where:
Base-Base interactions energy: -35.400
where: short stacking energy: -35.400
Base-Backbone interact. energy: -0.010
local terms energy: -48.875725
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -9.716
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -5.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -71.193602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.193602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.193602 (E_RNA)
where:
Base-Base interactions energy: -28.662
where: short stacking energy: -26.194
Base-Backbone interact. energy: -0.316
local terms energy: -42.216169
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -9.576
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -4.969
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: 1, replica: 7
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -229.245356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.245356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.245356 (E_RNA)
where:
Base-Base interactions energy: -148.811
where: short stacking energy: -69.239
Base-Backbone interact. energy: -0.701
local terms energy: -79.733467
where:
bonds (distance) C4'-P energy: -17.199
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -20.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -209.632237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.632237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.632237 (E_RNA)
where:
Base-Base interactions energy: -142.262
where: short stacking energy: -57.316
Base-Backbone interact. energy: -0.013
local terms energy: -67.357344
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -15.331
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: 5
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -201.653259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.653259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.653259 (E_RNA)
where:
Base-Base interactions energy: -135.592
where: short stacking energy: -60.676
Base-Backbone interact. energy: -0.112
local terms energy: -65.949145
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -9.974
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -17.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -205.202455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.202455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.202455 (E_RNA)
where:
Base-Base interactions energy: -138.375
where: short stacking energy: -58.321
Base-Backbone interact. energy: -0.201
local terms energy: -66.626365
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -7.015
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: 5, replica: 6
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -155.543566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.543566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.543566 (E_RNA)
where:
Base-Base interactions energy: -90.997
where: short stacking energy: -43.981
Base-Backbone interact. energy: -0.351
local terms energy: -64.196396
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -10.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -174.547327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.547327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.547327 (E_RNA)
where:
Base-Base interactions energy: -109.466
where: short stacking energy: -47.922
Base-Backbone interact. energy: 0.165
local terms energy: -65.246845
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -14.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -95.797091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.797091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.797091 (E_RNA)
where:
Base-Base interactions energy: -46.349
where: short stacking energy: -30.891
Base-Backbone interact. energy: 0.647
local terms energy: -50.095043
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -4.774
tors. eta vs tors. theta energy: -3.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -81.074553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.074553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.074553 (E_RNA)
where:
Base-Base interactions energy: -29.240
where: short stacking energy: -28.688
Base-Backbone interact. energy: -0.063
local terms energy: -51.771746
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -10.538
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: -3.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -90.635712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.635712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.635712 (E_RNA)
where:
Base-Base interactions energy: -35.828
where: short stacking energy: -24.633
Base-Backbone interact. energy: -0.719
local terms energy: -54.088340
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -5.939
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: 10, replica: 4
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -80.896030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.896030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.896030 (E_RNA)
where:
Base-Base interactions energy: -38.882
where: short stacking energy: -15.801
Base-Backbone interact. energy: 0.127
local terms energy: -42.141257
where:
bonds (distance) C4'-P energy: -15.378
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -9.993
flat angles P-C4'-P energy: -5.915
tors. eta vs tors. theta energy: 3.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -227.887591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.887591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.887591 (E_RNA)
where:
Base-Base interactions energy: -157.574
where: short stacking energy: -63.334
Base-Backbone interact. energy: -0.934
local terms energy: -69.379678
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -11.110
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -20.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -228.545735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.545735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.545735 (E_RNA)
where:
Base-Base interactions energy: -150.887
where: short stacking energy: -74.778
Base-Backbone interact. energy: -0.035
local terms energy: -77.622959
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -21.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -207.557024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.557024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.557024 (E_RNA)
where:
Base-Base interactions energy: -129.373
where: short stacking energy: -64.896
Base-Backbone interact. energy: -0.368
local terms energy: -77.816129
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -19.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -200.047343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.047343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.047343 (E_RNA)
where:
Base-Base interactions energy: -133.622
where: short stacking energy: -50.116
Base-Backbone interact. energy: -0.003
local terms energy: -66.422469
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -9.402
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -14.935
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: 6
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -168.178386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.178386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.178386 (E_RNA)
where:
Base-Base interactions energy: -110.719
where: short stacking energy: -52.839
Base-Backbone interact. energy: -0.046
local terms energy: -57.413677
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -9.484
flat angles P-C4'-P energy: -5.742
tors. eta vs tors. theta energy: -13.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -173.292431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.292431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.292431 (E_RNA)
where:
Base-Base interactions energy: -114.405
where: short stacking energy: -49.811
Base-Backbone interact. energy: -0.216
local terms energy: -58.671340
where:
bonds (distance) C4'-P energy: -8.575
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -6.434
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -17.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -86.943550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.943550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.943550 (E_RNA)
where:
Base-Base interactions energy: -33.663
where: short stacking energy: -19.124
Base-Backbone interact. energy: -0.137
local terms energy: -53.143177
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -2.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -85.930563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.930563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.930563 (E_RNA)
where:
Base-Base interactions energy: -31.491
where: short stacking energy: -30.012
Base-Backbone interact. energy: 0.156
local terms energy: -54.595159
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -10.741
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -6.493
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: 2
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -81.328789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.328789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.328789 (E_RNA)
where:
Base-Base interactions energy: -29.793
where: short stacking energy: -24.438
Base-Backbone interact. energy: -0.168
local terms energy: -51.367221
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -4.774
tors. eta vs tors. theta energy: -2.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -74.940130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.940130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.940130 (E_RNA)
where:
Base-Base interactions energy: -28.868
where: short stacking energy: -21.293
Base-Backbone interact. energy: -0.411
local terms energy: -45.661245
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: 6.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -226.730577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.730577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.730577 (E_RNA)
where:
Base-Base interactions energy: -145.202
where: short stacking energy: -66.804
Base-Backbone interact. energy: -0.052
local terms energy: -81.476514
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -18.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -226.134400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.134400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.134400 (E_RNA)
where:
Base-Base interactions energy: -150.118
where: short stacking energy: -74.500
Base-Backbone interact. energy: -0.237
local terms energy: -75.778985
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -21.664
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: 8
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -207.350898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.350898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.350898 (E_RNA)
where:
Base-Base interactions energy: -143.260
where: short stacking energy: -60.125
Base-Backbone interact. energy: -0.513
local terms energy: -63.578231
where:
bonds (distance) C4'-P energy: -8.724
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -15.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -203.303464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.303464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.303464 (E_RNA)
where:
Base-Base interactions energy: -131.696
where: short stacking energy: -58.385
Base-Backbone interact. energy: 2.268
local terms energy: -73.874846
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -16.552
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -15.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -184.584958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.584958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.584958 (E_RNA)
where:
Base-Base interactions energy: -110.419
where: short stacking energy: -50.926
Base-Backbone interact. energy: -0.575
local terms energy: -73.591029
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -18.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -170.061091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.061091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.061091 (E_RNA)
where:
Base-Base interactions energy: -104.223
where: short stacking energy: -52.016
Base-Backbone interact. energy: -0.527
local terms energy: -65.310990
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -15.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -106.113429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.113429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.113429 (E_RNA)
where:
Base-Base interactions energy: -56.494
where: short stacking energy: -37.302
Base-Backbone interact. energy: -0.219
local terms energy: -49.400424
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: 0.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -80.513050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.513050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.513050 (E_RNA)
where:
Base-Base interactions energy: -30.336
where: short stacking energy: -27.499
Base-Backbone interact. energy: -0.033
local terms energy: -50.143964
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -10.777
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: 4
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -72.609218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.609218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.609218 (E_RNA)
where:
Base-Base interactions energy: -23.261
where: short stacking energy: -21.867
Base-Backbone interact. energy: 0.460
local terms energy: -49.808556
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -4.527
tors. eta vs tors. theta energy: -1.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -81.292434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.292434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.292434 (E_RNA)
where:
Base-Base interactions energy: -29.969
where: short stacking energy: -23.840
Base-Backbone interact. energy: 0.645
local terms energy: -51.969210
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -10.357
flat angles P-C4'-P energy: -7.139
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: 451
Temperature: 0.900000
Total energy: -231.558886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.558886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.558886 (E_RNA)
where:
Base-Base interactions energy: -150.222
where: short stacking energy: -70.017
Base-Backbone interact. energy: -0.099
local terms energy: -81.237449
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -22.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -221.918592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.918592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.918592 (E_RNA)
where:
Base-Base interactions energy: -144.539
where: short stacking energy: -69.404
Base-Backbone interact. energy: -0.428
local terms energy: -76.951106
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -21.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -208.342319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.342319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.342319 (E_RNA)
where:
Base-Base interactions energy: -137.787
where: short stacking energy: -65.066
Base-Backbone interact. energy: -0.025
local terms energy: -70.530295
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -14.780
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: 4, replica: 10
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -188.675996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.675996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.675996 (E_RNA)
where:
Base-Base interactions energy: -106.764
where: short stacking energy: -63.559
Base-Backbone interact. energy: -0.003
local terms energy: -81.909012
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -13.128
tors. eta vs tors. theta energy: -21.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -191.014301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.014301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.014301 (E_RNA)
where:
Base-Base interactions energy: -119.195
where: short stacking energy: -57.897
Base-Backbone interact. energy: -0.102
local terms energy: -71.717629
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -12.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -155.997273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.997273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.997273 (E_RNA)
where:
Base-Base interactions energy: -85.897
where: short stacking energy: -42.720
Base-Backbone interact. energy: -0.142
local terms energy: -69.958038
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -8.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -96.712992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.712992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.712992 (E_RNA)
where:
Base-Base interactions energy: -49.919
where: short stacking energy: -21.982
Base-Backbone interact. energy: -0.796
local terms energy: -45.998304
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -7.287
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: 0.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -83.267455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.267455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.267455 (E_RNA)
where:
Base-Base interactions energy: -32.972
where: short stacking energy: -29.316
Base-Backbone interact. energy: -0.010
local terms energy: -50.286004
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -9.031
flat angles C4'-P-C4' energy: -8.950
flat angles P-C4'-P energy: -6.260
tors. eta vs tors. theta energy: -11.060
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: 9, replica: 3
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -82.950967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.950967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.950967 (E_RNA)
where:
Base-Base interactions energy: -34.620
where: short stacking energy: -19.582
Base-Backbone interact. energy: -0.281
local terms energy: -48.049878
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: 1.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -95.667968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.667968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.667968 (E_RNA)
where:
Base-Base interactions energy: -47.561
where: short stacking energy: -24.262
Base-Backbone interact. energy: -0.314
local terms energy: -47.792574
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -10.073
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: 1.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -220.646301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.646301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.646301 (E_RNA)
where:
Base-Base interactions energy: -145.459
where: short stacking energy: -70.332
Base-Backbone interact. energy: -0.061
local terms energy: -75.126763
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -10.125
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: 1
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -223.240969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.240969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.240969 (E_RNA)
where:
Base-Base interactions energy: -148.253
where: short stacking energy: -76.029
Base-Backbone interact. energy: -0.249
local terms energy: -74.739508
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -18.452
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -20.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -206.073464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.073464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.073464 (E_RNA)
where:
Base-Base interactions energy: -134.021
where: short stacking energy: -63.647
Base-Backbone interact. energy: -0.078
local terms energy: -71.973914
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -15.289
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: 4, replica: 10
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -172.653804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.653804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.653804 (E_RNA)
where:
Base-Base interactions energy: -107.592
where: short stacking energy: -51.325
Base-Backbone interact. energy: -0.346
local terms energy: -64.715804
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -11.385
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: 5
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -195.451800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.451800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.451800 (E_RNA)
where:
Base-Base interactions energy: -135.390
where: short stacking energy: -56.105
Base-Backbone interact. energy: 1.686
local terms energy: -61.747639
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -5.818
tors. eta vs tors. theta energy: -14.716
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: 452
Temperature: 1.150000
Total energy: -144.480302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.480302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.480302 (E_RNA)
where:
Base-Base interactions energy: -86.897
where: short stacking energy: -43.135
Base-Backbone interact. energy: -0.053
local terms energy: -57.530316
where:
bonds (distance) C4'-P energy: -18.627
bonds (distance) P-C4' energy: -10.355
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -8.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -119.687008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.687008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.687008 (E_RNA)
where:
Base-Base interactions energy: -71.953
where: short stacking energy: -38.444
Base-Backbone interact. energy: -0.185
local terms energy: -47.549490
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -7.940
flat angles P-C4'-P energy: -5.666
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: 4
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -79.449307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.449307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.449307 (E_RNA)
where:
Base-Base interactions energy: -30.030
where: short stacking energy: -24.341
Base-Backbone interact. energy: 0.355
local terms energy: -49.775014
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -8.770
flat angles P-C4'-P energy: -8.917
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: 9, replica: 2
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -84.317407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.317407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.317407 (E_RNA)
where:
Base-Base interactions energy: -30.064
where: short stacking energy: -14.409
Base-Backbone interact. energy: -0.053
local terms energy: -54.199741
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -0.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -79.313679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.313679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.313679 (E_RNA)
where:
Base-Base interactions energy: -30.907
where: short stacking energy: -19.943
Base-Backbone interact. energy: -0.863
local terms energy: -47.543126
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: 0.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -224.165611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.165611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.165611 (E_RNA)
where:
Base-Base interactions energy: -149.866
where: short stacking energy: -72.448
Base-Backbone interact. energy: -0.090
local terms energy: -74.209002
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -18.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -217.025556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.025556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.025556 (E_RNA)
where:
Base-Base interactions energy: -150.446
where: short stacking energy: -60.385
Base-Backbone interact. energy: -0.018
local terms energy: -66.561634
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -15.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -213.962956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.962956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.962956 (E_RNA)
where:
Base-Base interactions energy: -134.947
where: short stacking energy: -60.889
Base-Backbone interact. energy: -2.315
local terms energy: -76.700751
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -20.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -210.809798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.809798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.809798 (E_RNA)
where:
Base-Base interactions energy: -142.860
where: short stacking energy: -61.619
Base-Backbone interact. energy: -0.019
local terms energy: -67.931115
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -8.824
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: 5, replica: 10
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -176.596640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.596640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.596640 (E_RNA)
where:
Base-Base interactions energy: -107.846
where: short stacking energy: -59.664
Base-Backbone interact. energy: -0.000
local terms energy: -68.750634
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -15.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -127.488403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.488403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.488403 (E_RNA)
where:
Base-Base interactions energy: -63.580
where: short stacking energy: -49.001
Base-Backbone interact. energy: -0.025
local terms energy: -63.883297
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -12.929
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -15.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -129.439413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.439413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.439413 (E_RNA)
where:
Base-Base interactions energy: -77.148
where: short stacking energy: -41.901
Base-Backbone interact. energy: -0.200
local terms energy: -52.090979
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -5.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -91.240275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.240275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.240275 (E_RNA)
where:
Base-Base interactions energy: -47.035
where: short stacking energy: -30.882
Base-Backbone interact. energy: -0.525
local terms energy: -43.679856
where:
bonds (distance) C4'-P energy: -10.261
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -2.106
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: 4
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -79.081193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.081193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.081193 (E_RNA)
where:
Base-Base interactions energy: -27.788
where: short stacking energy: -27.788
Base-Backbone interact. energy: -0.171
local terms energy: -51.122206
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -9.594
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: 0.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -81.026735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.026735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.026735 (E_RNA)
where:
Base-Base interactions energy: -34.772
where: short stacking energy: -30.007
Base-Backbone interact. energy: -0.230
local terms energy: -46.024437
where:
bonds (distance) C4'-P energy: -7.764
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -4.082
tors. eta vs tors. theta energy: -3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -228.324377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.324377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.324377 (E_RNA)
where:
Base-Base interactions energy: -152.113
where: short stacking energy: -76.386
Base-Backbone interact. energy: -0.000
local terms energy: -76.210823
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -17.306
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -23.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -219.040331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.040331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.040331 (E_RNA)
where:
Base-Base interactions energy: -141.535
where: short stacking energy: -67.777
Base-Backbone interact. energy: 0.171
local terms energy: -77.676273
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -11.824
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: 3, replica: 1
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -213.849738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.849738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.849738 (E_RNA)
where:
Base-Base interactions energy: -142.878
where: short stacking energy: -69.748
Base-Backbone interact. energy: 0.580
local terms energy: -71.550952
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -17.856
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -20.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -207.546388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.546388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.546388 (E_RNA)
where:
Base-Base interactions energy: -143.565
where: short stacking energy: -59.166
Base-Backbone interact. energy: -0.309
local terms energy: -63.671925
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -13.685
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: 5, replica: 10
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -161.294914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.294914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.294914 (E_RNA)
where:
Base-Base interactions energy: -101.304
where: short stacking energy: -52.767
Base-Backbone interact. energy: -0.183
local terms energy: -59.807091
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -13.639
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: 9
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -117.788081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.788081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.788081 (E_RNA)
where:
Base-Base interactions energy: -60.916
where: short stacking energy: -38.268
Base-Backbone interact. energy: -0.836
local terms energy: -56.035599
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -8.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -127.607020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.607020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.607020 (E_RNA)
where:
Base-Base interactions energy: -76.806
where: short stacking energy: -35.070
Base-Backbone interact. energy: -0.600
local terms energy: -50.200560
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -11.170
flat angles P-C4'-P energy: -2.636
tors. eta vs tors. theta energy: -5.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -84.153434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.153434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.153434 (E_RNA)
where:
Base-Base interactions energy: -30.490
where: short stacking energy: -25.875
Base-Backbone interact. energy: -0.208
local terms energy: -53.455634
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -11.305
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: 4
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -79.380621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.380621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.380621 (E_RNA)
where:
Base-Base interactions energy: -27.525
where: short stacking energy: -22.830
Base-Backbone interact. energy: -0.259
local terms energy: -51.596178
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -7.083
tors. eta vs tors. theta energy: -2.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -81.110646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.110646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.110646 (E_RNA)
where:
Base-Base interactions energy: -29.830
where: short stacking energy: -29.830
Base-Backbone interact. energy: -0.039
local terms energy: -51.241244
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -6.190
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: 1, replica: 7
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -218.986906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.986906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.986906 (E_RNA)
where:
Base-Base interactions energy: -140.192
where: short stacking energy: -69.852
Base-Backbone interact. energy: -0.684
local terms energy: -78.111545
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -19.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -220.857943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.857943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.857943 (E_RNA)
where:
Base-Base interactions energy: -143.180
where: short stacking energy: -64.877
Base-Backbone interact. energy: -1.558
local terms energy: -76.119576
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -20.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -212.055366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.055366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.055366 (E_RNA)
where:
Base-Base interactions energy: -134.228
where: short stacking energy: -65.282
Base-Backbone interact. energy: -0.211
local terms energy: -77.616572
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -19.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -214.317341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.317341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.317341 (E_RNA)
where:
Base-Base interactions energy: -140.834
where: short stacking energy: -73.292
Base-Backbone interact. energy: -0.023
local terms energy: -73.460595
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -23.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -150.898505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.898505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.898505 (E_RNA)
where:
Base-Base interactions energy: -92.837
where: short stacking energy: -40.039
Base-Backbone interact. energy: -0.579
local terms energy: -57.482242
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -6.864
tors. eta vs tors. theta energy: -7.197
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: 6
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -150.746384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.746384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.746384 (E_RNA)
where:
Base-Base interactions energy: -85.687
where: short stacking energy: -48.282
Base-Backbone interact. energy: -0.343
local terms energy: -64.716043
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -14.471
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -11.576
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: 9
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -100.345786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.345786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.345786 (E_RNA)
where:
Base-Base interactions energy: -46.806
where: short stacking energy: -33.935
Base-Backbone interact. energy: -0.752
local terms energy: -52.787824
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -5.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -89.030362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.030362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.030362 (E_RNA)
where:
Base-Base interactions energy: -38.589
where: short stacking energy: -35.737
Base-Backbone interact. energy: -0.075
local terms energy: -50.366465
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -13.295
flat angles C4'-P-C4' energy: -10.209
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -6.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -80.386276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.386276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.386276 (E_RNA)
where:
Base-Base interactions energy: -36.943
where: short stacking energy: -26.067
Base-Backbone interact. energy: -1.041
local terms energy: -42.402959
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -11.483
flat angles P-C4'-P energy: -7.440
tors. eta vs tors. theta energy: 2.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -95.145029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.145029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.145029 (E_RNA)
where:
Base-Base interactions energy: -50.335
where: short stacking energy: -24.487
Base-Backbone interact. energy: -0.453
local terms energy: -44.356258
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -7.962
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -6.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -229.649382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.649382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.649382 (E_RNA)
where:
Base-Base interactions energy: -149.720
where: short stacking energy: -73.354
Base-Backbone interact. energy: -0.043
local terms energy: -79.886706
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -21.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -207.185496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.185496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.185496 (E_RNA)
where:
Base-Base interactions energy: -137.884
where: short stacking energy: -48.098
Base-Backbone interact. energy: -0.274
local terms energy: -69.027827
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -15.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -218.446450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.446450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.446450 (E_RNA)
where:
Base-Base interactions energy: -140.900
where: short stacking energy: -68.587
Base-Backbone interact. energy: -0.752
local terms energy: -76.795117
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -17.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -209.658519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.658519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.658519 (E_RNA)
where:
Base-Base interactions energy: -135.594
where: short stacking energy: -62.513
Base-Backbone interact. energy: -0.158
local terms energy: -73.906134
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -15.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -171.938784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.938784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.938784 (E_RNA)
where:
Base-Base interactions energy: -100.614
where: short stacking energy: -61.017
Base-Backbone interact. energy: -1.401
local terms energy: -69.923780
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -20.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -142.858672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.858672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.858672 (E_RNA)
where:
Base-Base interactions energy: -86.246
where: short stacking energy: -39.632
Base-Backbone interact. energy: -0.133
local terms energy: -56.479283
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -5.639
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: 7, replica: 4
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -91.564807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.564807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.564807 (E_RNA)
where:
Base-Base interactions energy: -36.222
where: short stacking energy: -31.952
Base-Backbone interact. energy: -0.181
local terms energy: -55.161845
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -3.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -86.852178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.852178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.852178 (E_RNA)
where:
Base-Base interactions energy: -43.677
where: short stacking energy: -17.977
Base-Backbone interact. energy: -0.159
local terms energy: -43.016223
where:
bonds (distance) C4'-P energy: -9.897
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -5.015
tors. eta vs tors. theta energy: 0.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -91.158493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.158493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.158493 (E_RNA)
where:
Base-Base interactions energy: -42.657
where: short stacking energy: -27.137
Base-Backbone interact. energy: -0.210
local terms energy: -48.291574
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: 1.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -70.484053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.484053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.484053 (E_RNA)
where:
Base-Base interactions energy: -19.173
where: short stacking energy: -17.701
Base-Backbone interact. energy: -0.003
local terms energy: -51.307911
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -8.535
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -5.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -225.579844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.579844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.579844 (E_RNA)
where:
Base-Base interactions energy: -145.041
where: short stacking energy: -67.566
Base-Backbone interact. energy: -0.003
local terms energy: -80.535354
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -21.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -218.880304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.880304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.880304 (E_RNA)
where:
Base-Base interactions energy: -146.028
where: short stacking energy: -58.640
Base-Backbone interact. energy: -0.263
local terms energy: -72.588689
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -15.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -203.031462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.031462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.031462 (E_RNA)
where:
Base-Base interactions energy: -140.773
where: short stacking energy: -48.232
Base-Backbone interact. energy: -0.481
local terms energy: -61.777163
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -15.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -181.090154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.090154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.090154 (E_RNA)
where:
Base-Base interactions energy: -112.282
where: short stacking energy: -61.875
Base-Backbone interact. energy: -0.001
local terms energy: -68.807337
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -10.883
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -16.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -200.072084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.072084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.072084 (E_RNA)
where:
Base-Base interactions energy: -134.752
where: short stacking energy: -56.789
Base-Backbone interact. energy: -0.260
local terms energy: -65.059781
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -14.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -144.807363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.807363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.807363 (E_RNA)
where:
Base-Base interactions energy: -83.430
where: short stacking energy: -40.514
Base-Backbone interact. energy: -0.091
local terms energy: -61.286670
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -10.913
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -4.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -100.522969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.522969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.522969 (E_RNA)
where:
Base-Base interactions energy: -37.696
where: short stacking energy: -37.696
Base-Backbone interact. energy: -0.059
local terms energy: -62.768563
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -7.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -113.002208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.002208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.002208 (E_RNA)
where:
Base-Base interactions energy: -68.665
where: short stacking energy: -33.133
Base-Backbone interact. energy: -0.081
local terms energy: -44.257185
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -10.397
flat angles P-C4'-P energy: -6.643
tors. eta vs tors. theta energy: -4.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -114.752354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.752354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.752354 (E_RNA)
where:
Base-Base interactions energy: -66.508
where: short stacking energy: -28.990
Base-Backbone interact. energy: -0.644
local terms energy: -47.600474
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -7.390
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -2.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -95.466983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.466983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.466983 (E_RNA)
where:
Base-Base interactions energy: -44.924
where: short stacking energy: -31.234
Base-Backbone interact. energy: -0.112
local terms energy: -50.431352
where:
bonds (distance) C4'-P energy: -8.191
bonds (distance) P-C4' energy: -12.916
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -11.873
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: 1
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -226.930682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.930682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.930682 (E_RNA)
where:
Base-Base interactions energy: -148.136
where: short stacking energy: -70.270
Base-Backbone interact. energy: -0.000
local terms energy: -78.794112
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -20.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -203.881006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.881006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.881006 (E_RNA)
where:
Base-Base interactions energy: -139.842
where: short stacking energy: -59.689
Base-Backbone interact. energy: -0.215
local terms energy: -63.824366
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -3.412
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: 3, replica: 7
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -197.364270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.364270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.364270 (E_RNA)
where:
Base-Base interactions energy: -132.811
where: short stacking energy: -52.252
Base-Backbone interact. energy: -0.138
local terms energy: -64.415076
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -10.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -183.168961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.168961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.168961 (E_RNA)
where:
Base-Base interactions energy: -109.322
where: short stacking energy: -57.896
Base-Backbone interact. energy: 0.454
local terms energy: -74.301263
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -16.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -194.874341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.874341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.874341 (E_RNA)
where:
Base-Base interactions energy: -125.710
where: short stacking energy: -63.896
Base-Backbone interact. energy: -0.101
local terms energy: -69.062838
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -18.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -155.271597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.271597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.271597 (E_RNA)
where:
Base-Base interactions energy: -97.412
where: short stacking energy: -52.583
Base-Backbone interact. energy: -0.165
local terms energy: -57.694229
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -10.037
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -10.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -148.208031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.208031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.208031 (E_RNA)
where:
Base-Base interactions energy: -95.891
where: short stacking energy: -41.326
Base-Backbone interact. energy: 0.442
local terms energy: -52.758836
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -9.258
flat angles P-C4'-P energy: -3.155
tors. eta vs tors. theta energy: -7.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -94.218539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.218539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.218539 (E_RNA)
where:
Base-Base interactions energy: -40.844
where: short stacking energy: -40.844
Base-Backbone interact. energy: -0.101
local terms energy: -53.273684
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -5.321
tors. eta vs tors. theta energy: -5.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -95.306177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.306177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.306177 (E_RNA)
where:
Base-Base interactions energy: -43.443
where: short stacking energy: -30.332
Base-Backbone interact. energy: -0.425
local terms energy: -51.437947
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -10.515
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -6.100
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: 10, replica: 9
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -77.016481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.016481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.016481 (E_RNA)
where:
Base-Base interactions energy: -29.737
where: short stacking energy: -20.184
Base-Backbone interact. energy: -0.050
local terms energy: -47.229545
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -4.134
tors. eta vs tors. theta energy: 0.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -230.126377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.126377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.126377 (E_RNA)
where:
Base-Base interactions energy: -156.279
where: short stacking energy: -79.778
Base-Backbone interact. energy: -0.123
local terms energy: -73.724559
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -15.869
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -10.613
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: 7
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -214.602528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.602528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.602528 (E_RNA)
where:
Base-Base interactions energy: -144.876
where: short stacking energy: -61.055
Base-Backbone interact. energy: -0.452
local terms energy: -69.274215
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -203.580492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.580492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.580492 (E_RNA)
where:
Base-Base interactions energy: -132.950
where: short stacking energy: -53.204
Base-Backbone interact. energy: -0.339
local terms energy: -70.291225
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -11.291
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: 4, replica: 8
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -204.275207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.275207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.275207 (E_RNA)
where:
Base-Base interactions energy: -142.003
where: short stacking energy: -47.048
Base-Backbone interact. energy: 0.029
local terms energy: -62.301846
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -13.178
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -13.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -178.318905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.318905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.318905 (E_RNA)
where:
Base-Base interactions energy: -108.006
where: short stacking energy: -52.766
Base-Backbone interact. energy: -0.167
local terms energy: -70.145461
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -11.928
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: 3
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -161.752951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.752951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.752951 (E_RNA)
where:
Base-Base interactions energy: -104.055
where: short stacking energy: -43.109
Base-Backbone interact. energy: 0.840
local terms energy: -58.537875
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: -8.001
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: 10
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -151.188566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.188566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.188566 (E_RNA)
where:
Base-Base interactions energy: -90.353
where: short stacking energy: -43.241
Base-Backbone interact. energy: -0.349
local terms energy: -60.486316
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -12.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -91.634679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.634679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.634679 (E_RNA)
where:
Base-Base interactions energy: -31.693
where: short stacking energy: -31.323
Base-Backbone interact. energy: -0.209
local terms energy: -59.732049
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: -8.359
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: 4
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -71.941822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.941822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.941822 (E_RNA)
where:
Base-Base interactions energy: -23.666
where: short stacking energy: -23.627
Base-Backbone interact. energy: -0.591
local terms energy: -47.685082
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -8.201
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -12.912
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: 9
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -83.424477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.424477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.424477 (E_RNA)
where:
Base-Base interactions energy: -34.799
where: short stacking energy: -28.709
Base-Backbone interact. energy: -0.148
local terms energy: -48.476939
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -10.391
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: -5.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -216.104861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.104861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.104861 (E_RNA)
where:
Base-Base interactions energy: -141.113
where: short stacking energy: -52.930
Base-Backbone interact. energy: -1.053
local terms energy: -73.939169
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -15.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -217.175334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.175334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.175334 (E_RNA)
where:
Base-Base interactions energy: -148.236
where: short stacking energy: -71.087
Base-Backbone interact. energy: -0.061
local terms energy: -68.878090
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -10.866
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -18.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -203.606469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.606469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.606469 (E_RNA)
where:
Base-Base interactions energy: -127.780
where: short stacking energy: -61.453
Base-Backbone interact. energy: -0.204
local terms energy: -75.622416
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -13.396
tors. eta vs tors. theta energy: -15.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -216.163542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.163542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.163542 (E_RNA)
where:
Base-Base interactions energy: -149.511
where: short stacking energy: -64.037
Base-Backbone interact. energy: -0.006
local terms energy: -66.645846
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -14.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -171.040943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.040943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.040943 (E_RNA)
where:
Base-Base interactions energy: -105.738
where: short stacking energy: -59.049
Base-Backbone interact. energy: -0.054
local terms energy: -65.249097
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -9.558
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -17.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -165.630662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.630662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.630662 (E_RNA)
where:
Base-Base interactions energy: -107.354
where: short stacking energy: -48.954
Base-Backbone interact. energy: -0.072
local terms energy: -58.204305
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -14.126
flat angles C4'-P-C4' energy: -10.903
flat angles P-C4'-P energy: -5.119
tors. eta vs tors. theta energy: -12.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -89.867439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.867439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.867439 (E_RNA)
where:
Base-Base interactions energy: -37.962
where: short stacking energy: -36.422
Base-Backbone interact. energy: -0.259
local terms energy: -51.646424
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -7.775
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: 8, replica: 10
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -144.226632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.226632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.226632 (E_RNA)
where:
Base-Base interactions energy: -89.988
where: short stacking energy: -45.632
Base-Backbone interact. energy: -0.242
local terms energy: -53.996539
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -8.309
flat angles P-C4'-P energy: -5.534
tors. eta vs tors. theta energy: -11.410
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: 460
Temperature: 1.300000
Total energy: -77.467623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.467623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.467623 (E_RNA)
where:
Base-Base interactions energy: -32.736
where: short stacking energy: -18.635
Base-Backbone interact. energy: -0.627
local terms energy: -44.104066
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: 2.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -70.130056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.130056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.130056 (E_RNA)
where:
Base-Base interactions energy: -31.177
where: short stacking energy: -22.343
Base-Backbone interact. energy: -0.200
local terms energy: -38.752248
where:
bonds (distance) C4'-P energy: -9.811
bonds (distance) P-C4' energy: -10.631
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -6.695
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: 1, replica: 7
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -215.162222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.162222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.162222 (E_RNA)
where:
Base-Base interactions energy: -140.975
where: short stacking energy: -64.134
Base-Backbone interact. energy: 0.274
local terms energy: -74.461379
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -19.270
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: 2, replica: 8
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -209.309218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.309218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.309218 (E_RNA)
where:
Base-Base interactions energy: -129.415
where: short stacking energy: -65.513
Base-Backbone interact. energy: -0.085
local terms energy: -79.808643
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -17.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -216.027229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.027229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.027229 (E_RNA)
where:
Base-Base interactions energy: -141.346
where: short stacking energy: -72.247
Base-Backbone interact. energy: -0.002
local terms energy: -74.679447
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -14.379
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -9.651
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: 5
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -195.228385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.228385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.228385 (E_RNA)
where:
Base-Base interactions energy: -132.825
where: short stacking energy: -57.706
Base-Backbone interact. energy: -0.241
local terms energy: -62.162446
where:
bonds (distance) C4'-P energy: -10.424
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -13.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -157.886903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.886903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.886903 (E_RNA)
where:
Base-Base interactions energy: -90.699
where: short stacking energy: -45.376
Base-Backbone interact. energy: -0.058
local terms energy: -67.129923
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -13.963
tors. eta vs tors. theta energy: -10.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -179.522468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.522468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.522468 (E_RNA)
where:
Base-Base interactions energy: -112.386
where: short stacking energy: -61.366
Base-Backbone interact. energy: -0.476
local terms energy: -66.660582
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -13.928
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: 2
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -95.353410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.353410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.353410 (E_RNA)
where:
Base-Base interactions energy: -42.011
where: short stacking energy: -39.180
Base-Backbone interact. energy: -0.168
local terms energy: -53.174247
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -4.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -81.577645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.577645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.577645 (E_RNA)
where:
Base-Base interactions energy: -36.338
where: short stacking energy: -20.895
Base-Backbone interact. energy: -0.218
local terms energy: -45.021621
where:
bonds (distance) C4'-P energy: -8.908
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: 2.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -113.247700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.247700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.247700 (E_RNA)
where:
Base-Base interactions energy: -64.785
where: short stacking energy: -32.513
Base-Backbone interact. energy: -0.006
local terms energy: -48.457067
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -7.975
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -5.208
tors. eta vs tors. theta energy: -3.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -72.418690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.418690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.418690 (E_RNA)
where:
Base-Base interactions energy: -25.933
where: short stacking energy: -14.422
Base-Backbone interact. energy: -1.301
local terms energy: -45.184938
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -5.678
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: 3.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -223.093299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.093299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.093299 (E_RNA)
where:
Base-Base interactions energy: -155.615
where: short stacking energy: -54.473
Base-Backbone interact. energy: -0.558
local terms energy: -66.920498
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -10.866
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: 2, replica: 8
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -211.440181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.440181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.440181 (E_RNA)
where:
Base-Base interactions energy: -136.307
where: short stacking energy: -61.956
Base-Backbone interact. energy: 0.357
local terms energy: -75.490598
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -15.994
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: 1
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -216.205955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.205955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.205955 (E_RNA)
where:
Base-Base interactions energy: -143.521
where: short stacking energy: -70.184
Base-Backbone interact. energy: -0.617
local terms energy: -72.067823
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -20.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -199.983899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.983899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.983899 (E_RNA)
where:
Base-Base interactions energy: -129.870
where: short stacking energy: -63.909
Base-Backbone interact. energy: 0.435
local terms energy: -70.548907
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -20.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -163.412303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.412303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.412303 (E_RNA)
where:
Base-Base interactions energy: -94.567
where: short stacking energy: -36.822
Base-Backbone interact. energy: -0.674
local terms energy: -68.170806
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -12.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -151.383765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.383765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.383765 (E_RNA)
where:
Base-Base interactions energy: -89.876
where: short stacking energy: -44.872
Base-Backbone interact. energy: -0.105
local terms energy: -61.402879
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -9.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -110.771702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.771702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.771702 (E_RNA)
where:
Base-Base interactions energy: -52.012
where: short stacking energy: -32.480
Base-Backbone interact. energy: -0.227
local terms energy: -58.532764
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -10.654
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -9.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -90.438841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.438841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.438841 (E_RNA)
where:
Base-Base interactions energy: -50.000
where: short stacking energy: -35.819
Base-Backbone interact. energy: 0.454
local terms energy: -40.893131
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -9.400
flat angles P-C4'-P energy: -2.097
tors. eta vs tors. theta energy: -1.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -81.333184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.333184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.333184 (E_RNA)
where:
Base-Base interactions energy: -35.705
where: short stacking energy: -32.706
Base-Backbone interact. energy: 0.049
local terms energy: -45.677653
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -0.630
tors. eta vs tors. theta energy: -5.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -132.572159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.572159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.572159 (E_RNA)
where:
Base-Base interactions energy: -79.817
where: short stacking energy: -44.917
Base-Backbone interact. energy: 0.816
local terms energy: -53.571032
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -9.162
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: -9.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -218.904730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.904730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.904730 (E_RNA)
where:
Base-Base interactions energy: -146.804
where: short stacking energy: -46.773
Base-Backbone interact. energy: 1.821
local terms energy: -73.921785
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -14.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -215.803362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.803362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.803362 (E_RNA)
where:
Base-Base interactions energy: -138.638
where: short stacking energy: -66.958
Base-Backbone interact. energy: -0.000
local terms energy: -77.164826
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -20.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -207.728677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.728677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.728677 (E_RNA)
where:
Base-Base interactions energy: -132.849
where: short stacking energy: -66.260
Base-Backbone interact. energy: 0.520
local terms energy: -75.399868
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -13.382
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: 4, replica: 5
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -203.976388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.976388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.976388 (E_RNA)
where:
Base-Base interactions energy: -131.391
where: short stacking energy: -59.331
Base-Backbone interact. energy: 0.243
local terms energy: -72.827857
where:
bonds (distance) C4'-P energy: -10.966
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -19.342
flat angles P-C4'-P energy: -11.231
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: 5, replica: 6
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -140.260391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.260391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.260391 (E_RNA)
where:
Base-Base interactions energy: -83.715
where: short stacking energy: -43.946
Base-Backbone interact. energy: -0.124
local terms energy: -56.422192
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -10.210
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -7.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -154.140152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.140152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.140152 (E_RNA)
where:
Base-Base interactions energy: -89.106
where: short stacking energy: -55.887
Base-Backbone interact. energy: -0.083
local terms energy: -64.951552
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -14.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -98.707017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.707017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.707017 (E_RNA)
where:
Base-Base interactions energy: -37.981
where: short stacking energy: -34.947
Base-Backbone interact. energy: -0.144
local terms energy: -60.582038
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -5.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -101.557958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.557958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.557958 (E_RNA)
where:
Base-Base interactions energy: -43.906
where: short stacking energy: -43.743
Base-Backbone interact. energy: -0.098
local terms energy: -57.554010
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -4.753
tors. eta vs tors. theta energy: -11.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -81.796773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.796773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.796773 (E_RNA)
where:
Base-Base interactions energy: -32.331
where: short stacking energy: -28.313
Base-Backbone interact. energy: -0.146
local terms energy: -49.319252
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -12.720
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -8.020
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: 463
Temperature: 1.350000
Total energy: -110.158543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.158543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.158543 (E_RNA)
where:
Base-Base interactions energy: -56.681
where: short stacking energy: -33.465
Base-Backbone interact. energy: 0.534
local terms energy: -54.011572
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -5.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -229.108133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.108133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.108133 (E_RNA)
where:
Base-Base interactions energy: -150.600
where: short stacking energy: -78.458
Base-Backbone interact. energy: -0.157
local terms energy: -78.351005
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -20.423
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: 7
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -214.267571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.267571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.267571 (E_RNA)
where:
Base-Base interactions energy: -150.718
where: short stacking energy: -46.546
Base-Backbone interact. energy: -2.078
local terms energy: -61.471664
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -12.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -212.351010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.351010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.351010 (E_RNA)
where:
Base-Base interactions energy: -144.860
where: short stacking energy: -70.229
Base-Backbone interact. energy: -0.525
local terms energy: -66.966279
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -14.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -198.955121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.955121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.955121 (E_RNA)
where:
Base-Base interactions energy: -126.024
where: short stacking energy: -60.044
Base-Backbone interact. energy: -0.020
local terms energy: -72.910884
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -16.232
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: 3
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -172.852758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.852758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.852758 (E_RNA)
where:
Base-Base interactions energy: -102.696
where: short stacking energy: -62.211
Base-Backbone interact. energy: -0.454
local terms energy: -69.702760
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -19.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -164.562494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.562494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.562494 (E_RNA)
where:
Base-Base interactions energy: -104.600
where: short stacking energy: -55.254
Base-Backbone interact. energy: -1.137
local terms energy: -58.824870
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -10.714
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -14.240
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: 4
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -103.478933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.478933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.478933 (E_RNA)
where:
Base-Base interactions energy: -52.810
where: short stacking energy: -27.458
Base-Backbone interact. energy: -0.119
local terms energy: -50.549360
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -5.213
tors. eta vs tors. theta energy: -3.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -84.779180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.779180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.779180 (E_RNA)
where:
Base-Base interactions energy: -33.740
where: short stacking energy: -30.864
Base-Backbone interact. energy: -0.009
local terms energy: -51.030646
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -4.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -76.597120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.597120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.597120 (E_RNA)
where:
Base-Base interactions energy: -25.315
where: short stacking energy: -23.016
Base-Backbone interact. energy: -1.184
local terms energy: -50.097354
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -0.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -78.039546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.039546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.039546 (E_RNA)
where:
Base-Base interactions energy: -27.966
where: short stacking energy: -25.761
Base-Backbone interact. energy: -0.207
local terms energy: -49.866884
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -3.179
tors. eta vs tors. theta energy: -7.267
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: 1
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -221.931848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.931848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.931848 (E_RNA)
where:
Base-Base interactions energy: -140.469
where: short stacking energy: -64.977
Base-Backbone interact. energy: -0.315
local terms energy: -81.148173
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -15.260
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -13.504
tors. eta vs tors. theta energy: -21.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -214.281685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.281685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.281685 (E_RNA)
where:
Base-Base interactions energy: -137.562
where: short stacking energy: -69.335
Base-Backbone interact. energy: -0.009
local terms energy: -76.711007
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -17.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -205.902944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.902944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.902944 (E_RNA)
where:
Base-Base interactions energy: -132.661
where: short stacking energy: -64.489
Base-Backbone interact. energy: -0.022
local terms energy: -73.220743
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -17.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -175.817549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.817549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.817549 (E_RNA)
where:
Base-Base interactions energy: -106.238
where: short stacking energy: -54.654
Base-Backbone interact. energy: -0.580
local terms energy: -68.999462
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -14.134
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: 8
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -198.251635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.251635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.251635 (E_RNA)
where:
Base-Base interactions energy: -121.106
where: short stacking energy: -61.643
Base-Backbone interact. energy: -0.042
local terms energy: -77.104055
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -19.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -167.835046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.835046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.835046 (E_RNA)
where:
Base-Base interactions energy: -92.684
where: short stacking energy: -55.885
Base-Backbone interact. energy: 0.956
local terms energy: -76.107082
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -12.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -106.927160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.927160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.927160 (E_RNA)
where:
Base-Base interactions energy: -56.856
where: short stacking energy: -19.825
Base-Backbone interact. energy: -0.171
local terms energy: -49.900507
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -11.378
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -2.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -89.867135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.867135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.867135 (E_RNA)
where:
Base-Base interactions energy: -36.551
where: short stacking energy: -24.658
Base-Backbone interact. energy: -0.008
local terms energy: -53.308076
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -8.723
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -82.242505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.242505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.242505 (E_RNA)
where:
Base-Base interactions energy: -28.482
where: short stacking energy: -28.482
Base-Backbone interact. energy: -1.218
local terms energy: -52.542363
where:
bonds (distance) C4'-P energy: -8.609
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -5.702
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: 10, replica: 2
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -80.753796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.753796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.753796 (E_RNA)
where:
Base-Base interactions energy: -37.192
where: short stacking energy: -14.451
Base-Backbone interact. energy: -0.217
local terms energy: -43.343907
where:
bonds (distance) C4'-P energy: -8.152
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -0.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -223.425558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.425558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.425558 (E_RNA)
where:
Base-Base interactions energy: -146.330
where: short stacking energy: -68.984
Base-Backbone interact. energy: -0.060
local terms energy: -77.036052
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -19.184
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: 466
Temperature: 0.950000
Total energy: -209.584437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.584437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.584437 (E_RNA)
where:
Base-Base interactions energy: -140.585
where: short stacking energy: -65.390
Base-Backbone interact. energy: -0.005
local terms energy: -68.994900
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -15.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -203.584304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.584304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.584304 (E_RNA)
where:
Base-Base interactions energy: -134.562
where: short stacking energy: -60.060
Base-Backbone interact. energy: -0.044
local terms energy: -68.977818
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -15.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -193.670650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.670650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.670650 (E_RNA)
where:
Base-Base interactions energy: -118.773
where: short stacking energy: -68.114
Base-Backbone interact. energy: -0.069
local terms energy: -74.828021
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -21.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -187.710948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.710948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.710948 (E_RNA)
where:
Base-Base interactions energy: -117.961
where: short stacking energy: -59.039
Base-Backbone interact. energy: -0.090
local terms energy: -69.659596
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -18.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -164.499048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.499048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.499048 (E_RNA)
where:
Base-Base interactions energy: -96.933
where: short stacking energy: -50.988
Base-Backbone interact. energy: -0.173
local terms energy: -67.393776
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -11.752
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: 7, replica: 10
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -93.437267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.437267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.437267 (E_RNA)
where:
Base-Base interactions energy: -41.944
where: short stacking energy: -40.399
Base-Backbone interact. energy: -0.016
local terms energy: -51.477749
where:
bonds (distance) C4'-P energy: -8.965
bonds (distance) P-C4' energy: -11.214
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -10.668
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: 4
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -95.490382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.490382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.490382 (E_RNA)
where:
Base-Base interactions energy: -35.827
where: short stacking energy: -35.827
Base-Backbone interact. energy: -0.135
local terms energy: -59.528119
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -6.115
tors. eta vs tors. theta energy: -11.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -89.905713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.905713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.905713 (E_RNA)
where:
Base-Base interactions energy: -40.643
where: short stacking energy: -35.258
Base-Backbone interact. energy: -0.071
local terms energy: -49.191761
where:
bonds (distance) C4'-P energy: -6.054
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -9.091
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: 10, replica: 9
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -80.353412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.353412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.353412 (E_RNA)
where:
Base-Base interactions energy: -36.944
where: short stacking energy: -34.299
Base-Backbone interact. energy: -0.093
local terms energy: -43.316246
where:
bonds (distance) C4'-P energy: -10.743
bonds (distance) P-C4' energy: -10.264
flat angles C4'-P-C4' energy: -6.910
flat angles P-C4'-P energy: -4.535
tors. eta vs tors. theta energy: -10.865
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: 1, replica: 1
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -226.894337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.894337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.894337 (E_RNA)
where:
Base-Base interactions energy: -149.274
where: short stacking energy: -78.100
Base-Backbone interact. energy: -0.131
local terms energy: -77.489582
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -20.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -204.417019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.417019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.417019 (E_RNA)
where:
Base-Base interactions energy: -131.994
where: short stacking energy: -70.668
Base-Backbone interact. energy: -0.003
local terms energy: -72.420000
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -19.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -207.205022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.205022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.205022 (E_RNA)
where:
Base-Base interactions energy: -132.972
where: short stacking energy: -66.478
Base-Backbone interact. energy: -0.346
local terms energy: -73.887515
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -17.977
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: 8
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -181.485411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.485411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.485411 (E_RNA)
where:
Base-Base interactions energy: -113.661
where: short stacking energy: -49.380
Base-Backbone interact. energy: -1.216
local terms energy: -66.608964
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -4.080
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: 5, replica: 3
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -152.930141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.930141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.930141 (E_RNA)
where:
Base-Base interactions energy: -82.882
where: short stacking energy: -45.852
Base-Backbone interact. energy: -0.757
local terms energy: -69.291913
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -11.292
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: 467
Temperature: 1.150000
Total energy: -159.728177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.728177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.728177 (E_RNA)
where:
Base-Base interactions energy: -100.611
where: short stacking energy: -47.356
Base-Backbone interact. energy: -1.134
local terms energy: -57.983224
where:
bonds (distance) C4'-P energy: -11.563
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -14.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -94.443790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.443790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.443790 (E_RNA)
where:
Base-Base interactions energy: -37.422
where: short stacking energy: -26.977
Base-Backbone interact. energy: 2.135
local terms energy: -59.157230
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -7.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -90.237509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.237509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.237509 (E_RNA)
where:
Base-Base interactions energy: -31.932
where: short stacking energy: -22.473
Base-Backbone interact. energy: -0.042
local terms energy: -58.263743
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -5.394
tors. eta vs tors. theta energy: -4.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -78.396688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.396688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.396688 (E_RNA)
where:
Base-Base interactions energy: -29.981
where: short stacking energy: -29.981
Base-Backbone interact. energy: 1.401
local terms energy: -49.816942
where:
bonds (distance) C4'-P energy: -6.107
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -8.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -77.900474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.900474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.900474 (E_RNA)
where:
Base-Base interactions energy: -30.918
where: short stacking energy: -24.518
Base-Backbone interact. energy: -0.820
local terms energy: -46.162563
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -5.118
tors. eta vs tors. theta energy: 0.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -227.502055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.502055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.502055 (E_RNA)
where:
Base-Base interactions energy: -148.161
where: short stacking energy: -73.520
Base-Backbone interact. energy: -1.071
local terms energy: -78.270930
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -20.846
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: 2, replica: 7
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -200.208469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.208469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.208469 (E_RNA)
where:
Base-Base interactions energy: -137.549
where: short stacking energy: -66.061
Base-Backbone interact. energy: -0.029
local terms energy: -62.630654
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -15.258
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: 5
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -193.259579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.259579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.259579 (E_RNA)
where:
Base-Base interactions energy: -120.034
where: short stacking energy: -56.248
Base-Backbone interact. energy: -0.574
local terms energy: -72.651373
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -13.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -197.214913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.214913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.214913 (E_RNA)
where:
Base-Base interactions energy: -132.149
where: short stacking energy: -53.860
Base-Backbone interact. energy: -0.937
local terms energy: -64.128841
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -14.035
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: 6
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -176.703991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.703991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.703991 (E_RNA)
where:
Base-Base interactions energy: -109.528
where: short stacking energy: -61.260
Base-Backbone interact. energy: -1.456
local terms energy: -65.719421
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -6.577
tors. eta vs tors. theta energy: -14.555
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: 6, replica: 3
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -159.999141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.999141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.999141 (E_RNA)
where:
Base-Base interactions energy: -91.976
where: short stacking energy: -61.170
Base-Backbone interact. energy: -0.109
local terms energy: -67.914776
where:
bonds (distance) C4'-P energy: -7.447
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -16.266
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: 10
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -86.183998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.183998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.183998 (E_RNA)
where:
Base-Base interactions energy: -29.492
where: short stacking energy: -26.865
Base-Backbone interact. energy: -1.609
local terms energy: -55.083243
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -6.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -95.129619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.129619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.129619 (E_RNA)
where:
Base-Base interactions energy: -36.494
where: short stacking energy: -35.118
Base-Backbone interact. energy: -0.093
local terms energy: -58.542685
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -4.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -97.475233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.475233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.475233 (E_RNA)
where:
Base-Base interactions energy: -43.538
where: short stacking energy: -31.171
Base-Backbone interact. energy: -0.354
local terms energy: -53.583371
where:
bonds (distance) C4'-P energy: -9.808
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -4.328
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: 4
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -90.778559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.778559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.778559 (E_RNA)
where:
Base-Base interactions energy: -37.959
where: short stacking energy: -31.711
Base-Backbone interact. energy: -0.008
local terms energy: -52.811449
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -9.622
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: 1, replica: 1
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -231.708527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.708527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.708527 (E_RNA)
where:
Base-Base interactions energy: -156.998
where: short stacking energy: -65.529
Base-Backbone interact. energy: -1.365
local terms energy: -73.344938
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -17.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -208.290779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.290779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.290779 (E_RNA)
where:
Base-Base interactions energy: -143.218
where: short stacking energy: -61.991
Base-Backbone interact. energy: -0.030
local terms energy: -65.043081
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -6.465
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: 3, replica: 7
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -196.581548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.581548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.581548 (E_RNA)
where:
Base-Base interactions energy: -129.125
where: short stacking energy: -62.244
Base-Backbone interact. energy: -0.009
local terms energy: -67.448155
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -16.919
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: 8
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -193.232121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.232121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.232121 (E_RNA)
where:
Base-Base interactions energy: -129.793
where: short stacking energy: -56.788
Base-Backbone interact. energy: -0.803
local terms energy: -62.636627
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -11.830
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -4.232
tors. eta vs tors. theta energy: -16.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -159.290401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.290401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.290401 (E_RNA)
where:
Base-Base interactions energy: -98.635
where: short stacking energy: -44.138
Base-Backbone interact. energy: -0.309
local terms energy: -60.345864
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -10.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -156.159114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.159114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.159114 (E_RNA)
where:
Base-Base interactions energy: -91.621
where: short stacking energy: -51.110
Base-Backbone interact. energy: 1.473
local terms energy: -66.010944
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -12.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -85.037368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.037368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.037368 (E_RNA)
where:
Base-Base interactions energy: -36.503
where: short stacking energy: -32.173
Base-Backbone interact. energy: 2.251
local terms energy: -50.785354
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: 0.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -87.058627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.058627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.058627 (E_RNA)
where:
Base-Base interactions energy: -32.738
where: short stacking energy: -32.738
Base-Backbone interact. energy: -0.290
local terms energy: -54.030470
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -10.289
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -9.091
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: 2
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -81.488897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.488897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.488897 (E_RNA)
where:
Base-Base interactions energy: -23.456
where: short stacking energy: -20.943
Base-Backbone interact. energy: -0.896
local terms energy: -57.136644
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -2.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -81.058539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.058539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.058539 (E_RNA)
where:
Base-Base interactions energy: -41.923
where: short stacking energy: -32.525
Base-Backbone interact. energy: -0.037
local terms energy: -39.098054
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -6.179
flat angles P-C4'-P energy: -4.994
tors. eta vs tors. theta energy: -3.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -221.754490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.754490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.754490 (E_RNA)
where:
Base-Base interactions energy: -146.225
where: short stacking energy: -68.268
Base-Backbone interact. energy: -0.304
local terms energy: -75.225804
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -7.586
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: 2, replica: 1
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -213.172336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.172336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.172336 (E_RNA)
where:
Base-Base interactions energy: -150.552
where: short stacking energy: -51.431
Base-Backbone interact. energy: -0.925
local terms energy: -61.695163
where:
bonds (distance) C4'-P energy: -8.121
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -14.245
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: 8
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -200.163367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.163367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.163367 (E_RNA)
where:
Base-Base interactions energy: -135.334
where: short stacking energy: -56.068
Base-Backbone interact. energy: -0.419
local terms energy: -64.410236
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -11.823
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: 4, replica: 7
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -194.093572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.093572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.093572 (E_RNA)
where:
Base-Base interactions energy: -124.636
where: short stacking energy: -58.955
Base-Backbone interact. energy: -0.148
local terms energy: -69.309107
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -12.785
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: 3
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -160.068005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.068005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.068005 (E_RNA)
where:
Base-Base interactions energy: -107.314
where: short stacking energy: -53.104
Base-Backbone interact. energy: -0.107
local terms energy: -52.646930
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -8.707
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: -12.235
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: 6, replica: 6
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -168.643669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.643669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.643669 (E_RNA)
where:
Base-Base interactions energy: -111.228
where: short stacking energy: -56.118
Base-Backbone interact. energy: 1.104
local terms energy: -58.519934
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -7.248
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -12.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -86.625750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.625750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.625750 (E_RNA)
where:
Base-Base interactions energy: -30.365
where: short stacking energy: -30.365
Base-Backbone interact. energy: -0.366
local terms energy: -55.894751
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -1.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -99.699574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.699574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.699574 (E_RNA)
where:
Base-Base interactions energy: -50.872
where: short stacking energy: -40.825
Base-Backbone interact. energy: 0.927
local terms energy: -49.755275
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -10.064
flat angles P-C4'-P energy: -5.678
tors. eta vs tors. theta energy: -6.278
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: 9, replica: 4
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -92.691381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.691381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.691381 (E_RNA)
where:
Base-Base interactions energy: -40.432
where: short stacking energy: -27.533
Base-Backbone interact. energy: -0.246
local terms energy: -52.013468
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -3.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -71.767817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.767817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.767817 (E_RNA)
where:
Base-Base interactions energy: -26.715
where: short stacking energy: -17.634
Base-Backbone interact. energy: -0.339
local terms energy: -44.713399
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -11.645
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: 4.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -222.312230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.312230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.312230 (E_RNA)
where:
Base-Base interactions energy: -145.878
where: short stacking energy: -64.413
Base-Backbone interact. energy: -0.275
local terms energy: -76.158966
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -19.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -215.901131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.901131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.901131 (E_RNA)
where:
Base-Base interactions energy: -141.908
where: short stacking energy: -73.486
Base-Backbone interact. energy: -0.020
local terms energy: -73.973455
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -16.565
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -21.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -207.891033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.891033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.891033 (E_RNA)
where:
Base-Base interactions energy: -140.065
where: short stacking energy: -47.199
Base-Backbone interact. energy: -0.129
local terms energy: -67.696224
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -12.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -211.159104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.159104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.159104 (E_RNA)
where:
Base-Base interactions energy: -141.730
where: short stacking energy: -54.878
Base-Backbone interact. energy: -0.108
local terms energy: -69.321664
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -10.053
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -18.566
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: 3
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -171.798851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.798851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.798851 (E_RNA)
where:
Base-Base interactions energy: -110.322
where: short stacking energy: -48.440
Base-Backbone interact. energy: 0.284
local terms energy: -61.761492
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -8.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -159.225090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.225090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.225090 (E_RNA)
where:
Base-Base interactions energy: -98.118
where: short stacking energy: -50.794
Base-Backbone interact. energy: -0.305
local terms energy: -60.801902
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -12.426
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: 9
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -91.349795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.349795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.349795 (E_RNA)
where:
Base-Base interactions energy: -36.162
where: short stacking energy: -36.162
Base-Backbone interact. energy: 1.092
local terms energy: -56.279669
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -10.202
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -6.664
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: 4
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -92.746692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.746692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.746692 (E_RNA)
where:
Base-Base interactions energy: -43.390
where: short stacking energy: -35.231
Base-Backbone interact. energy: -0.111
local terms energy: -49.245900
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -10.214
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -2.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -90.080052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.080052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.080052 (E_RNA)
where:
Base-Base interactions energy: -42.696
where: short stacking energy: -31.238
Base-Backbone interact. energy: -0.325
local terms energy: -47.059106
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -7.690
flat angles P-C4'-P energy: -11.712
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: 2
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -87.788255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.788255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.788255 (E_RNA)
where:
Base-Base interactions energy: -43.190
where: short stacking energy: -33.762
Base-Backbone interact. energy: 2.478
local terms energy: -47.075811
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -10.365
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -2.749
tors. eta vs tors. theta energy: -6.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -230.138968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.138968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.138968 (E_RNA)
where:
Base-Base interactions energy: -152.347
where: short stacking energy: -71.497
Base-Backbone interact. energy: -0.861
local terms energy: -76.931567
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -9.648
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: 5
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -224.170643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.170643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.170643 (E_RNA)
where:
Base-Base interactions energy: -145.888
where: short stacking energy: -74.205
Base-Backbone interact. energy: -0.050
local terms energy: -78.233330
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -20.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -211.179753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.179753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.179753 (E_RNA)
where:
Base-Base interactions energy: -148.870
where: short stacking energy: -54.268
Base-Backbone interact. energy: -0.074
local terms energy: -62.235034
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: -16.168
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: 4, replica: 1
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -206.672734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.672734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.672734 (E_RNA)
where:
Base-Base interactions energy: -136.963
where: short stacking energy: -49.458
Base-Backbone interact. energy: -1.324
local terms energy: -68.385502
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -15.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -148.427364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.427364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.427364 (E_RNA)
where:
Base-Base interactions energy: -95.499
where: short stacking energy: -45.380
Base-Backbone interact. energy: -1.336
local terms energy: -51.592482
where:
bonds (distance) C4'-P energy: -9.493
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -6.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -124.465444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.465444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.465444 (E_RNA)
where:
Base-Base interactions energy: -63.310
where: short stacking energy: -31.142
Base-Backbone interact. energy: -0.061
local terms energy: -61.094324
where:
bonds (distance) C4'-P energy: -10.884
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -6.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -88.515497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.515497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.515497 (E_RNA)
where:
Base-Base interactions energy: -31.603
where: short stacking energy: -25.530
Base-Backbone interact. energy: 1.303
local terms energy: -58.215616
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -5.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -93.215921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.215921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.215921 (E_RNA)
where:
Base-Base interactions energy: -44.063
where: short stacking energy: -44.063
Base-Backbone interact. energy: -0.200
local terms energy: -48.952803
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -8.208
flat angles C4'-P-C4' energy: -10.118
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -8.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -97.752992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.752992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.752992 (E_RNA)
where:
Base-Base interactions energy: -40.077
where: short stacking energy: -34.765
Base-Backbone interact. energy: -0.782
local terms energy: -56.894077
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -12.084
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -9.734
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: 10, replica: 10
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -78.243326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.243326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.243326 (E_RNA)
where:
Base-Base interactions energy: -32.792
where: short stacking energy: -29.654
Base-Backbone interact. energy: -0.414
local terms energy: -45.037516
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -1.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -225.846965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.846965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.846965 (E_RNA)
where:
Base-Base interactions energy: -149.258
where: short stacking energy: -65.041
Base-Backbone interact. energy: -0.802
local terms energy: -75.786234
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -20.431
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: 5
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -215.871460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.871460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.871460 (E_RNA)
where:
Base-Base interactions energy: -132.937
where: short stacking energy: -64.860
Base-Backbone interact. energy: -0.723
local terms energy: -82.211579
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -19.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -227.630447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.630447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.630447 (E_RNA)
where:
Base-Base interactions energy: -152.956
where: short stacking energy: -68.645
Base-Backbone interact. energy: -0.054
local terms energy: -74.620041
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -20.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -205.908017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.908017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.908017 (E_RNA)
where:
Base-Base interactions energy: -133.796
where: short stacking energy: -61.316
Base-Backbone interact. energy: -0.664
local terms energy: -71.448513
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -17.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -159.527621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.527621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.527621 (E_RNA)
where:
Base-Base interactions energy: -92.292
where: short stacking energy: -49.916
Base-Backbone interact. energy: -0.593
local terms energy: -66.642443
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -14.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -95.307073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.307073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.307073 (E_RNA)
where:
Base-Base interactions energy: -41.281
where: short stacking energy: -32.492
Base-Backbone interact. energy: -0.127
local terms energy: -53.898870
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -6.730
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: 7, replica: 6
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -107.909440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.909440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.909440 (E_RNA)
where:
Base-Base interactions energy: -52.314
where: short stacking energy: -41.781
Base-Backbone interact. energy: 1.468
local terms energy: -57.063564
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -9.027
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -7.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -76.018742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.018742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.018742 (E_RNA)
where:
Base-Base interactions energy: -26.860
where: short stacking energy: -26.402
Base-Backbone interact. energy: -0.261
local terms energy: -48.898735
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: 0.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -86.396612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.396612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.396612 (E_RNA)
where:
Base-Base interactions energy: -43.377
where: short stacking energy: -36.792
Base-Backbone interact. energy: 2.652
local terms energy: -45.671033
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -4.910
tors. eta vs tors. theta energy: -5.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -82.914174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.914174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.914174 (E_RNA)
where:
Base-Base interactions energy: -32.474
where: short stacking energy: -21.563
Base-Backbone interact. energy: 0.582
local terms energy: -51.021543
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: 1.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -224.341210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.341210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.341210 (E_RNA)
where:
Base-Base interactions energy: -146.473
where: short stacking energy: -72.070
Base-Backbone interact. energy: -0.004
local terms energy: -77.863412
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -15.661
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -11.005
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: 2, replica: 8
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -220.041581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.041581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.041581 (E_RNA)
where:
Base-Base interactions energy: -142.265
where: short stacking energy: -66.940
Base-Backbone interact. energy: -2.103
local terms energy: -75.673229
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -9.642
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: 3, replica: 1
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -214.659531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.659531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.659531 (E_RNA)
where:
Base-Base interactions energy: -142.407
where: short stacking energy: -63.869
Base-Backbone interact. energy: -0.105
local terms energy: -72.147742
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -16.925
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: 7
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -210.970768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.970768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.970768 (E_RNA)
where:
Base-Base interactions energy: -138.980
where: short stacking energy: -65.145
Base-Backbone interact. energy: -0.080
local terms energy: -71.910634
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -19.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -160.924279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.924279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.924279 (E_RNA)
where:
Base-Base interactions energy: -100.893
where: short stacking energy: -48.708
Base-Backbone interact. energy: -0.272
local terms energy: -59.759442
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -12.283
flat angles C4'-P-C4' energy: -9.830
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -11.225
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: 4
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -92.084871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.084871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.084871 (E_RNA)
where:
Base-Base interactions energy: -43.296
where: short stacking energy: -43.125
Base-Backbone interact. energy: -0.383
local terms energy: -48.405876
where:
bonds (distance) C4'-P energy: -8.145
bonds (distance) P-C4' energy: -10.866
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -5.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -88.550046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.550046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.550046 (E_RNA)
where:
Base-Base interactions energy: -40.092
where: short stacking energy: -27.283
Base-Backbone interact. energy: 1.706
local terms energy: -50.164371
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -1.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -86.177563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.177563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.177563 (E_RNA)
where:
Base-Base interactions energy: -34.310
where: short stacking energy: -31.372
Base-Backbone interact. energy: 0.554
local terms energy: -52.421937
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -16.701
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -4.250
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: 9, replica: 10
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -89.777665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.777665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.777665 (E_RNA)
where:
Base-Base interactions energy: -43.161
where: short stacking energy: -43.141
Base-Backbone interact. energy: -0.106
local terms energy: -46.510551
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -12.093
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -4.751
tors. eta vs tors. theta energy: -4.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -77.342738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.342738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.342738 (E_RNA)
where:
Base-Base interactions energy: -36.473
where: short stacking energy: -27.504
Base-Backbone interact. energy: 0.946
local terms energy: -41.816105
where:
bonds (distance) C4'-P energy: -7.863
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -10.574
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: -3.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -226.148028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.148028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.148028 (E_RNA)
where:
Base-Base interactions energy: -140.834
where: short stacking energy: -65.191
Base-Backbone interact. energy: -0.070
local terms energy: -85.244544
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -22.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -215.213375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.213375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.213375 (E_RNA)
where:
Base-Base interactions energy: -138.681
where: short stacking energy: -58.691
Base-Backbone interact. energy: -0.070
local terms energy: -76.462204
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -11.536
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: 3, replica: 8
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -206.124437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.124437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.124437 (E_RNA)
where:
Base-Base interactions energy: -137.886
where: short stacking energy: -70.133
Base-Backbone interact. energy: -0.195
local terms energy: -68.043012
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -10.977
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -16.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -218.596047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.596047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.596047 (E_RNA)
where:
Base-Base interactions energy: -144.305
where: short stacking energy: -73.059
Base-Backbone interact. energy: -0.516
local terms energy: -73.774969
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -21.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -180.416956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.416956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.416956 (E_RNA)
where:
Base-Base interactions energy: -114.622
where: short stacking energy: -57.664
Base-Backbone interact. energy: -0.200
local terms energy: -65.594686
where:
bonds (distance) C4'-P energy: -9.809
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -11.710
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: 6, replica: 6
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -109.853077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.853077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.853077 (E_RNA)
where:
Base-Base interactions energy: -44.304
where: short stacking energy: -30.682
Base-Backbone interact. energy: 0.229
local terms energy: -65.777985
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -8.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -92.487943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.487943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.487943 (E_RNA)
where:
Base-Base interactions energy: -40.031
where: short stacking energy: -38.352
Base-Backbone interact. energy: -0.407
local terms energy: -52.050077
where:
bonds (distance) C4'-P energy: -8.652
bonds (distance) P-C4' energy: -15.126
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -5.691
tors. eta vs tors. theta energy: -6.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -89.602721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.602721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.602721 (E_RNA)
where:
Base-Base interactions energy: -33.816
where: short stacking energy: -33.161
Base-Backbone interact. energy: -0.107
local terms energy: -55.679917
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -9.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -83.414879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.414879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.414879 (E_RNA)
where:
Base-Base interactions energy: -30.730
where: short stacking energy: -30.705
Base-Backbone interact. energy: 0.090
local terms energy: -52.775319
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -8.898
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: 10, replica: 9
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -81.647050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.647050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.647050 (E_RNA)
where:
Base-Base interactions energy: -28.161
where: short stacking energy: -24.841
Base-Backbone interact. energy: -0.267
local terms energy: -53.219590
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -6.187
tors. eta vs tors. theta energy: -4.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -226.606009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.606009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.606009 (E_RNA)
where:
Base-Base interactions energy: -153.627
where: short stacking energy: -56.285
Base-Backbone interact. energy: -0.437
local terms energy: -72.542014
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -17.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -216.447436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.447436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.447436 (E_RNA)
where:
Base-Base interactions energy: -140.415
where: short stacking energy: -61.347
Base-Backbone interact. energy: -0.770
local terms energy: -75.262431
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -19.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -218.805214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.805214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.805214 (E_RNA)
where:
Base-Base interactions energy: -139.563
where: short stacking energy: -67.678
Base-Backbone interact. energy: -0.296
local terms energy: -78.945862
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -19.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -205.140848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.140848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.140848 (E_RNA)
where:
Base-Base interactions energy: -134.132
where: short stacking energy: -55.618
Base-Backbone interact. energy: -1.019
local terms energy: -69.989698
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -18.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -158.345923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.345923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.345923 (E_RNA)
where:
Base-Base interactions energy: -99.002
where: short stacking energy: -53.879
Base-Backbone interact. energy: -0.020
local terms energy: -59.323841
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -9.112
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -11.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -97.641953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.641953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.641953 (E_RNA)
where:
Base-Base interactions energy: -43.639
where: short stacking energy: -37.055
Base-Backbone interact. energy: -0.032
local terms energy: -53.970149
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -10.277
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -9.589
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: 10
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -93.052496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.052496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.052496 (E_RNA)
where:
Base-Base interactions energy: -41.996
where: short stacking energy: -32.532
Base-Backbone interact. energy: -0.761
local terms energy: -50.295150
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -9.963
flat angles C4'-P-C4' energy: -10.758
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: -3.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -98.097521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.097521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.097521 (E_RNA)
where:
Base-Base interactions energy: -60.541
where: short stacking energy: -33.849
Base-Backbone interact. energy: -0.226
local terms energy: -37.330423
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -8.607
flat angles P-C4'-P energy: -1.105
tors. eta vs tors. theta energy: -1.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -98.908510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.908510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.908510 (E_RNA)
where:
Base-Base interactions energy: -52.268
where: short stacking energy: -24.141
Base-Backbone interact. energy: -0.119
local terms energy: -46.521632
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -1.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -78.968957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.968957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.968957 (E_RNA)
where:
Base-Base interactions energy: -30.797
where: short stacking energy: -28.918
Base-Backbone interact. energy: -0.166
local terms energy: -48.006036
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -2.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -221.761497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.761497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.761497 (E_RNA)
where:
Base-Base interactions energy: -139.915
where: short stacking energy: -56.908
Base-Backbone interact. energy: -1.777
local terms energy: -80.070389
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -11.976
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: 2, replica: 7
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -210.113748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.113748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.113748 (E_RNA)
where:
Base-Base interactions energy: -137.282
where: short stacking energy: -63.869
Base-Backbone interact. energy: -0.755
local terms energy: -72.076318
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -11.751
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -12.618
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: 3, replica: 1
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -213.119596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.119596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.119596 (E_RNA)
where:
Base-Base interactions energy: -132.861
where: short stacking energy: -60.815
Base-Backbone interact. energy: -2.207
local terms energy: -78.051024
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -11.281
tors. eta vs tors. theta energy: -21.522
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: 8
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -210.614988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.614988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.614988 (E_RNA)
where:
Base-Base interactions energy: -140.065
where: short stacking energy: -68.564
Base-Backbone interact. energy: -0.103
local terms energy: -70.446438
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -4.754
tors. eta vs tors. theta energy: -18.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -163.363687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.363687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.363687 (E_RNA)
where:
Base-Base interactions energy: -100.860
where: short stacking energy: -49.474
Base-Backbone interact. energy: -0.147
local terms energy: -62.357348
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -8.580
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -13.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -94.529937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.529937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.529937 (E_RNA)
where:
Base-Base interactions energy: -33.074
where: short stacking energy: -29.850
Base-Backbone interact. energy: -0.016
local terms energy: -61.440217
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -6.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -93.638425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.638425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.638425 (E_RNA)
where:
Base-Base interactions energy: -40.832
where: short stacking energy: -30.549
Base-Backbone interact. energy: -0.483
local terms energy: -52.323621
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -10.386
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -3.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -88.104035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.104035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.104035 (E_RNA)
where:
Base-Base interactions energy: -38.007
where: short stacking energy: -32.684
Base-Backbone interact. energy: -0.021
local terms energy: -50.076333
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -11.843
flat angles C4'-P-C4' energy: -11.462
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -5.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -89.790829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.790829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.790829 (E_RNA)
where:
Base-Base interactions energy: -34.827
where: short stacking energy: -34.827
Base-Backbone interact. energy: -0.127
local terms energy: -54.836844
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -10.774
flat angles P-C4'-P energy: -10.713
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: 10, replica: 2
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -102.854742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.854742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.854742 (E_RNA)
where:
Base-Base interactions energy: -45.798
where: short stacking energy: -38.885
Base-Backbone interact. energy: -0.448
local terms energy: -56.607965
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -11.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -223.209359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.209359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.209359 (E_RNA)
where:
Base-Base interactions energy: -150.340
where: short stacking energy: -70.169
Base-Backbone interact. energy: -0.034
local terms energy: -72.835555
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -9.710
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: 5
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -223.875625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.875625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.875625 (E_RNA)
where:
Base-Base interactions energy: -147.768
where: short stacking energy: -67.109
Base-Backbone interact. energy: -0.008
local terms energy: -76.099661
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -16.835
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -18.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -215.080303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.080303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.080303 (E_RNA)
where:
Base-Base interactions energy: -137.386
where: short stacking energy: -68.337
Base-Backbone interact. energy: -0.010
local terms energy: -77.684782
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -21.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -214.788678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.788678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.788678 (E_RNA)
where:
Base-Base interactions energy: -138.947
where: short stacking energy: -55.010
Base-Backbone interact. energy: -0.011
local terms energy: -75.830441
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -16.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -171.189363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.189363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.189363 (E_RNA)
where:
Base-Base interactions energy: -108.727
where: short stacking energy: -32.766
Base-Backbone interact. energy: -2.833
local terms energy: -59.629185
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -3.699
tors. eta vs tors. theta energy: -9.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -92.257035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.257035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.257035 (E_RNA)
where:
Base-Base interactions energy: -45.643
where: short stacking energy: -25.059
Base-Backbone interact. energy: -1.122
local terms energy: -45.491929
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -13.382
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -4.911
tors. eta vs tors. theta energy: -0.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -81.285687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.285687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.285687 (E_RNA)
where:
Base-Base interactions energy: -28.724
where: short stacking energy: -28.507
Base-Backbone interact. energy: -0.172
local terms energy: -52.389641
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -2.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -77.108531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.108531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.108531 (E_RNA)
where:
Base-Base interactions energy: -23.397
where: short stacking energy: -23.397
Base-Backbone interact. energy: -0.019
local terms energy: -53.692560
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -0.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -86.343131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.343131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.343131 (E_RNA)
where:
Base-Base interactions energy: -31.627
where: short stacking energy: -29.683
Base-Backbone interact. energy: -0.082
local terms energy: -54.634532
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -9.109
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: 4
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -75.177514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.177514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.177514 (E_RNA)
where:
Base-Base interactions energy: -29.894
where: short stacking energy: -25.753
Base-Backbone interact. energy: -0.062
local terms energy: -45.221780
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -8.024
flat angles P-C4'-P energy: -6.160
tors. eta vs tors. theta energy: -2.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -228.409387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.409387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.409387 (E_RNA)
where:
Base-Base interactions energy: -148.077
where: short stacking energy: -76.619
Base-Backbone interact. energy: -0.243
local terms energy: -80.089193
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -19.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -220.932928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.932928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.932928 (E_RNA)
where:
Base-Base interactions energy: -148.062
where: short stacking energy: -71.627
Base-Backbone interact. energy: -0.009
local terms energy: -72.861701
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -11.328
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -21.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -217.843646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.843646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.843646 (E_RNA)
where:
Base-Base interactions energy: -142.263
where: short stacking energy: -55.795
Base-Backbone interact. energy: -0.071
local terms energy: -75.510008
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -16.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -216.842038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.842038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.842038 (E_RNA)
where:
Base-Base interactions energy: -148.201
where: short stacking energy: -70.582
Base-Backbone interact. energy: -0.260
local terms energy: -68.381065
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -15.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -176.449179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.449179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.449179 (E_RNA)
where:
Base-Base interactions energy: -108.444
where: short stacking energy: -56.816
Base-Backbone interact. energy: 0.575
local terms energy: -68.579532
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -14.992
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: 6, replica: 9
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -113.872720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.872720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.872720 (E_RNA)
where:
Base-Base interactions energy: -54.440
where: short stacking energy: -39.292
Base-Backbone interact. energy: -0.946
local terms energy: -58.487010
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -10.318
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -5.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -100.518750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.518750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.518750 (E_RNA)
where:
Base-Base interactions energy: -42.863
where: short stacking energy: -35.526
Base-Backbone interact. energy: -0.025
local terms energy: -57.630368
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -11.665
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -6.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -84.329938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.329938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.329938 (E_RNA)
where:
Base-Base interactions energy: -37.334
where: short stacking energy: -22.792
Base-Backbone interact. energy: 1.750
local terms energy: -48.745570
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -12.897
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: 3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -77.868131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.868131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.868131 (E_RNA)
where:
Base-Base interactions energy: -33.146
where: short stacking energy: -12.037
Base-Backbone interact. energy: -0.115
local terms energy: -44.607473
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -5.146
tors. eta vs tors. theta energy: 3.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -79.832353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.832353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.832353 (E_RNA)
where:
Base-Base interactions energy: -32.670
where: short stacking energy: -32.670
Base-Backbone interact. energy: -0.098
local terms energy: -47.064740
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -6.025
tors. eta vs tors. theta energy: -2.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -223.732460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.732460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.732460 (E_RNA)
where:
Base-Base interactions energy: -144.204
where: short stacking energy: -73.930
Base-Backbone interact. energy: -0.002
local terms energy: -79.526732
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -21.027
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: 8
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -219.179173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.179173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.179173 (E_RNA)
where:
Base-Base interactions energy: -144.048
where: short stacking energy: -58.083
Base-Backbone interact. energy: -0.833
local terms energy: -74.298549
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -12.449
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: 1
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -225.430563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.430563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.430563 (E_RNA)
where:
Base-Base interactions energy: -149.338
where: short stacking energy: -65.102
Base-Backbone interact. energy: -0.078
local terms energy: -76.014889
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -17.360
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -18.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -210.348024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.348024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.348024 (E_RNA)
where:
Base-Base interactions energy: -147.269
where: short stacking energy: -60.081
Base-Backbone interact. energy: -0.950
local terms energy: -62.128859
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -10.953
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -18.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -165.636575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.636575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.636575 (E_RNA)
where:
Base-Base interactions energy: -103.604
where: short stacking energy: -48.115
Base-Backbone interact. energy: -1.515
local terms energy: -60.517890
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -9.039
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -12.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -103.015066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.015066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.015066 (E_RNA)
where:
Base-Base interactions energy: -39.873
where: short stacking energy: -39.873
Base-Backbone interact. energy: -0.074
local terms energy: -63.067771
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -10.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -95.641335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.641335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.641335 (E_RNA)
where:
Base-Base interactions energy: -44.907
where: short stacking energy: -35.239
Base-Backbone interact. energy: -0.562
local terms energy: -50.172262
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -5.011
tors. eta vs tors. theta energy: -3.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -84.349680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.349680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.349680 (E_RNA)
where:
Base-Base interactions energy: -28.601
where: short stacking energy: -28.601
Base-Backbone interact. energy: -0.058
local terms energy: -55.690116
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -10.661
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -5.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -79.198717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.198717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.198717 (E_RNA)
where:
Base-Base interactions energy: -26.852
where: short stacking energy: -24.022
Base-Backbone interact. energy: -0.226
local terms energy: -52.121032
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -9.117
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: 10, replica: 2
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -84.092237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.092237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.092237 (E_RNA)
where:
Base-Base interactions energy: -36.012
where: short stacking energy: -30.411
Base-Backbone interact. energy: -0.193
local terms energy: -47.887225
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -10.183
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -1.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -229.867099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.867099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.867099 (E_RNA)
where:
Base-Base interactions energy: -150.236
where: short stacking energy: -63.888
Base-Backbone interact. energy: -1.110
local terms energy: -78.520921
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -15.315
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: 1
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -224.944892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.944892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.944892 (E_RNA)
where:
Base-Base interactions energy: -144.106
where: short stacking energy: -76.757
Base-Backbone interact. energy: -0.158
local terms energy: -80.680635
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -19.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -224.857070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.857070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.857070 (E_RNA)
where:
Base-Base interactions energy: -154.103
where: short stacking energy: -69.989
Base-Backbone interact. energy: 0.032
local terms energy: -70.785624
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -19.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -208.188035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.188035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.188035 (E_RNA)
where:
Base-Base interactions energy: -144.052
where: short stacking energy: -52.221
Base-Backbone interact. energy: -1.259
local terms energy: -62.876973
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -1.436
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: 3
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -157.970020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.970020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.970020 (E_RNA)
where:
Base-Base interactions energy: -96.191
where: short stacking energy: -47.254
Base-Backbone interact. energy: -0.112
local terms energy: -61.666871
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -5.614
tors. eta vs tors. theta energy: -13.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -92.905997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.905997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.905997 (E_RNA)
where:
Base-Base interactions energy: -42.473
where: short stacking energy: -24.781
Base-Backbone interact. energy: -0.125
local terms energy: -50.307965
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -0.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -89.117709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.117709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.117709 (E_RNA)
where:
Base-Base interactions energy: -40.422
where: short stacking energy: -32.392
Base-Backbone interact. energy: 0.741
local terms energy: -49.436183
where:
bonds (distance) C4'-P energy: -9.818
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -11.906
flat angles P-C4'-P energy: -10.754
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: 8, replica: 4
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -109.871353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.871353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.871353 (E_RNA)
where:
Base-Base interactions energy: -57.575
where: short stacking energy: -31.119
Base-Backbone interact. energy: -0.299
local terms energy: -51.997563
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -9.170
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -7.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -96.529944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.529944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.529944 (E_RNA)
where:
Base-Base interactions energy: -38.676
where: short stacking energy: -37.604
Base-Backbone interact. energy: -0.110
local terms energy: -57.743993
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -7.702
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: 2
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -107.850650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.850650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.850650 (E_RNA)
where:
Base-Base interactions energy: -54.336
where: short stacking energy: -24.739
Base-Backbone interact. energy: -1.587
local terms energy: -51.927917
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -1.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -224.481824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.481824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.481824 (E_RNA)
where:
Base-Base interactions energy: -146.554
where: short stacking energy: -72.076
Base-Backbone interact. energy: -0.399
local terms energy: -77.529001
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -21.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -218.457552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.457552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.457552 (E_RNA)
where:
Base-Base interactions energy: -145.020
where: short stacking energy: -58.176
Base-Backbone interact. energy: -1.347
local terms energy: -72.090754
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -10.517
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: 3, replica: 5
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -212.805335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.805335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.805335 (E_RNA)
where:
Base-Base interactions energy: -145.994
where: short stacking energy: -60.051
Base-Backbone interact. energy: -0.668
local terms energy: -66.143578
where:
bonds (distance) C4'-P energy: -7.723
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -18.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -211.352740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.352740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.352740 (E_RNA)
where:
Base-Base interactions energy: -137.192
where: short stacking energy: -59.477
Base-Backbone interact. energy: -1.205
local terms energy: -72.955455
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -22.278
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: 3
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -175.669909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.669909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.669909 (E_RNA)
where:
Base-Base interactions energy: -111.702
where: short stacking energy: -50.300
Base-Backbone interact. energy: -0.423
local terms energy: -63.544954
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -10.555
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: 6, replica: 9
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -92.315712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.315712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.315712 (E_RNA)
where:
Base-Base interactions energy: -36.693
where: short stacking energy: -30.196
Base-Backbone interact. energy: 0.078
local terms energy: -55.700716
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -3.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -84.010922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.010922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.010922 (E_RNA)
where:
Base-Base interactions energy: -35.496
where: short stacking energy: -21.958
Base-Backbone interact. energy: 0.051
local terms energy: -48.565782
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -10.896
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: 0.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -92.767924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.767924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.767924 (E_RNA)
where:
Base-Base interactions energy: -42.468
where: short stacking energy: -19.106
Base-Backbone interact. energy: -0.155
local terms energy: -50.144964
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -7.223
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -3.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -92.167125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.167125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.167125 (E_RNA)
where:
Base-Base interactions energy: -42.041
where: short stacking energy: -25.559
Base-Backbone interact. energy: -0.309
local terms energy: -49.816888
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: 2.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -75.178642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.178642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.178642 (E_RNA)
where:
Base-Base interactions energy: -25.125
where: short stacking energy: -20.132
Base-Backbone interact. energy: -0.238
local terms energy: -49.815772
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -8.733
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: 1
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -217.065809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.065809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.065809 (E_RNA)
where:
Base-Base interactions energy: -143.953
where: short stacking energy: -66.212
Base-Backbone interact. energy: -0.002
local terms energy: -73.111337
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -18.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -223.432876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.432876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.432876 (E_RNA)
where:
Base-Base interactions energy: -151.209
where: short stacking energy: -59.521
Base-Backbone interact. energy: -0.282
local terms energy: -71.942502
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -18.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -213.325016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.325016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.325016 (E_RNA)
where:
Base-Base interactions energy: -140.529
where: short stacking energy: -53.864
Base-Backbone interact. energy: -1.415
local terms energy: -71.381095
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -10.923
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -14.901
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: 483
Temperature: 1.050000
Total energy: -182.713272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.713272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.713272 (E_RNA)
where:
Base-Base interactions energy: -107.183
where: short stacking energy: -53.964
Base-Backbone interact. energy: -0.493
local terms energy: -75.036942
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -14.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -211.490312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.490312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.490312 (E_RNA)
where:
Base-Base interactions energy: -144.932
where: short stacking energy: -66.226
Base-Backbone interact. energy: -0.040
local terms energy: -66.518210
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -12.192
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -3.172
tors. eta vs tors. theta energy: -22.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -96.426710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.426710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.426710 (E_RNA)
where:
Base-Base interactions energy: -44.148
where: short stacking energy: -30.186
Base-Backbone interact. energy: 0.115
local terms energy: -52.394040
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: 1.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -86.534399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.534399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.534399 (E_RNA)
where:
Base-Base interactions energy: -35.281
where: short stacking energy: -22.182
Base-Backbone interact. energy: -0.856
local terms energy: -50.396602
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -10.003
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: 8, replica: 2
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -81.646621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.646621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.646621 (E_RNA)
where:
Base-Base interactions energy: -29.060
where: short stacking energy: -29.060
Base-Backbone interact. energy: -0.103
local terms energy: -52.483731
where:
bonds (distance) C4'-P energy: -9.760
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -4.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -78.871373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.871373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.871373 (E_RNA)
where:
Base-Base interactions energy: -27.045
where: short stacking energy: -17.057
Base-Backbone interact. energy: -0.085
local terms energy: -51.741757
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -7.952
flat angles P-C4'-P energy: -7.832
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: 10, replica: 10
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -90.213082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.213082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.213082 (E_RNA)
where:
Base-Base interactions energy: -34.581
where: short stacking energy: -34.581
Base-Backbone interact. energy: -0.237
local terms energy: -55.395121
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -10.146
flat angles P-C4'-P energy: -7.733
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: 1
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -218.813614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.813614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.813614 (E_RNA)
where:
Base-Base interactions energy: -138.574
where: short stacking energy: -63.768
Base-Backbone interact. energy: -0.663
local terms energy: -79.576685
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -20.644
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: 2, replica: 7
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -214.855916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.855916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.855916 (E_RNA)
where:
Base-Base interactions energy: -141.607
where: short stacking energy: -52.563
Base-Backbone interact. energy: -1.019
local terms energy: -72.230315
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -15.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -216.249875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.249875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.249875 (E_RNA)
where:
Base-Base interactions energy: -145.722
where: short stacking energy: -62.464
Base-Backbone interact. energy: -0.651
local terms energy: -69.877018
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -11.041
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: 4, replica: 3
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -162.046700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.046700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.046700 (E_RNA)
where:
Base-Base interactions energy: -90.972
where: short stacking energy: -35.715
Base-Backbone interact. energy: -2.024
local terms energy: -69.050542
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -8.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -193.645289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.645289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.645289 (E_RNA)
where:
Base-Base interactions energy: -129.875
where: short stacking energy: -47.351
Base-Backbone interact. energy: -0.257
local terms energy: -63.512873
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -11.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -111.637721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.637721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.637721 (E_RNA)
where:
Base-Base interactions energy: -51.286
where: short stacking energy: -23.805
Base-Backbone interact. energy: -0.480
local terms energy: -59.872153
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -2.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -108.834373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.834373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.834373 (E_RNA)
where:
Base-Base interactions energy: -41.809
where: short stacking energy: -41.207
Base-Backbone interact. energy: -0.085
local terms energy: -66.941160
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -9.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -83.997348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.997348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.997348 (E_RNA)
where:
Base-Base interactions energy: -32.437
where: short stacking energy: -31.114
Base-Backbone interact. energy: -0.093
local terms energy: -51.467305
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -7.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -128.078729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.078729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.078729 (E_RNA)
where:
Base-Base interactions energy: -72.999
where: short stacking energy: -44.038
Base-Backbone interact. energy: -0.766
local terms energy: -54.313655
where:
bonds (distance) C4'-P energy: -8.025
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -9.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -80.383997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.383997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.383997 (E_RNA)
where:
Base-Base interactions energy: -20.500
where: short stacking energy: -20.500
Base-Backbone interact. energy: -0.031
local terms energy: -59.852505
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -8.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -220.587590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.587590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.587590 (E_RNA)
where:
Base-Base interactions energy: -144.101
where: short stacking energy: -61.343
Base-Backbone interact. energy: -0.005
local terms energy: -76.481105
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -21.645
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: 485
Temperature: 0.950000
Total energy: -222.608094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.608094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.608094 (E_RNA)
where:
Base-Base interactions energy: -145.874
where: short stacking energy: -69.076
Base-Backbone interact. energy: -0.445
local terms energy: -76.288997
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -13.261
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: 7
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -220.475792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.475792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.475792 (E_RNA)
where:
Base-Base interactions energy: -143.578
where: short stacking energy: -68.271
Base-Backbone interact. energy: -0.163
local terms energy: -76.735114
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -18.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -200.241687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.241687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.241687 (E_RNA)
where:
Base-Base interactions energy: -125.735
where: short stacking energy: -54.648
Base-Backbone interact. energy: -0.449
local terms energy: -74.058019
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -17.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -186.924202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.924202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.924202 (E_RNA)
where:
Base-Base interactions energy: -124.175
where: short stacking energy: -45.744
Base-Backbone interact. energy: -0.195
local terms energy: -62.553777
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -11.380
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: 2
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -99.379290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.379290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.379290 (E_RNA)
where:
Base-Base interactions energy: -39.796
where: short stacking energy: -38.840
Base-Backbone interact. energy: -0.056
local terms energy: -59.527320
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -10.729
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: 7, replica: 6
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -95.484731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.484731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.484731 (E_RNA)
where:
Base-Base interactions energy: -32.995
where: short stacking energy: -28.846
Base-Backbone interact. energy: 0.541
local terms energy: -63.030777
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -7.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -135.102127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.102127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.102127 (E_RNA)
where:
Base-Base interactions energy: -83.845
where: short stacking energy: -38.942
Base-Backbone interact. energy: -0.136
local terms energy: -51.120760
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -10.584
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: -7.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -74.895160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.895160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.895160 (E_RNA)
where:
Base-Base interactions energy: -22.057
where: short stacking energy: -18.421
Base-Backbone interact. energy: -1.481
local terms energy: -51.357117
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -7.954
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: 4
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -83.769217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.769217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.769217 (E_RNA)
where:
Base-Base interactions energy: -34.795
where: short stacking energy: -20.929
Base-Backbone interact. energy: -0.505
local terms energy: -48.468957
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -8.548
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: 0.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -223.145054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.145054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.145054 (E_RNA)
where:
Base-Base interactions energy: -148.755
where: short stacking energy: -75.201
Base-Backbone interact. energy: -0.020
local terms energy: -74.370028
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -5.615
tors. eta vs tors. theta energy: -20.378
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: 2, replica: 1
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -224.359060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.359060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.359060 (E_RNA)
where:
Base-Base interactions energy: -153.225
where: short stacking energy: -66.610
Base-Backbone interact. energy: -0.854
local terms energy: -70.280074
where:
bonds (distance) C4'-P energy: -8.540
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -10.676
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: 3, replica: 7
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -216.917771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.917771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.917771 (E_RNA)
where:
Base-Base interactions energy: -148.928
where: short stacking energy: -67.350
Base-Backbone interact. energy: -0.019
local terms energy: -67.971095
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -18.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -198.848440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.848440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.848440 (E_RNA)
where:
Base-Base interactions energy: -127.122
where: short stacking energy: -55.588
Base-Backbone interact. energy: -0.696
local terms energy: -71.030406
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -10.563
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: 3
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -195.648727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.648727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.648727 (E_RNA)
where:
Base-Base interactions energy: -129.705
where: short stacking energy: -61.814
Base-Backbone interact. energy: -0.372
local terms energy: -65.571795
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -12.488
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -15.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -100.040298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.040298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.040298 (E_RNA)
where:
Base-Base interactions energy: -40.993
where: short stacking energy: -32.232
Base-Backbone interact. energy: -0.140
local terms energy: -58.907380
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -16.105
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -1.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -139.096969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.096969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.096969 (E_RNA)
where:
Base-Base interactions energy: -85.366
where: short stacking energy: -51.941
Base-Backbone interact. energy: -0.563
local terms energy: -53.168281
where:
bonds (distance) C4'-P energy: -7.981
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -5.189
tors. eta vs tors. theta energy: -12.827
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: 6
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -95.002114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.002114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.002114 (E_RNA)
where:
Base-Base interactions energy: -37.410
where: short stacking energy: -24.780
Base-Backbone interact. energy: -0.366
local terms energy: -57.226011
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -6.092
tors. eta vs tors. theta energy: -5.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -82.478905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.478905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.478905 (E_RNA)
where:
Base-Base interactions energy: -33.194
where: short stacking energy: -33.194
Base-Backbone interact. energy: -0.288
local terms energy: -48.997278
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -2.077
tors. eta vs tors. theta energy: -4.059
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: 9
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -76.857182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.857182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.857182 (E_RNA)
where:
Base-Base interactions energy: -33.973
where: short stacking energy: -24.356
Base-Backbone interact. energy: -0.049
local terms energy: -42.834870
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -7.980
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -0.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -223.068512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.068512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.068512 (E_RNA)
where:
Base-Base interactions energy: -139.790
where: short stacking energy: -66.050
Base-Backbone interact. energy: -0.292
local terms energy: -82.986297
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -22.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -214.633640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.633640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.633640 (E_RNA)
where:
Base-Base interactions energy: -149.823
where: short stacking energy: -61.084
Base-Backbone interact. energy: -0.537
local terms energy: -64.273664
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -13.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -216.067567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.067567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.067567 (E_RNA)
where:
Base-Base interactions energy: -137.892
where: short stacking energy: -62.188
Base-Backbone interact. energy: -0.561
local terms energy: -77.615109
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -11.086
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: 3
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -189.448060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.448060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.448060 (E_RNA)
where:
Base-Base interactions energy: -125.855
where: short stacking energy: -56.519
Base-Backbone interact. energy: -0.188
local terms energy: -63.404718
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -9.904
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: 8
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -206.775699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.775699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.775699 (E_RNA)
where:
Base-Base interactions energy: -136.823
where: short stacking energy: -70.330
Base-Backbone interact. energy: 0.247
local terms energy: -70.199633
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -5.860
tors. eta vs tors. theta energy: -19.516
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: 10
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -140.225002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.225002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.225002 (E_RNA)
where:
Base-Base interactions energy: -94.419
where: short stacking energy: -38.127
Base-Backbone interact. energy: 3.476
local terms energy: -49.281305
where:
bonds (distance) C4'-P energy: -7.260
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -7.698
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: 7, replica: 2
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -85.365050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.365050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.365050 (E_RNA)
where:
Base-Base interactions energy: -30.156
where: short stacking energy: -28.589
Base-Backbone interact. energy: -0.005
local terms energy: -55.204029
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -9.878
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -5.617
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: 4
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -92.831386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.831386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.831386 (E_RNA)
where:
Base-Base interactions energy: -33.662
where: short stacking energy: -28.144
Base-Backbone interact. energy: 2.128
local terms energy: -61.297690
where:
bonds (distance) C4'-P energy: -9.604
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -6.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -78.268019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.268019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.268019 (E_RNA)
where:
Base-Base interactions energy: -30.817
where: short stacking energy: -30.817
Base-Backbone interact. energy: -0.127
local terms energy: -47.324061
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -9.259
flat angles P-C4'-P energy: -5.015
tors. eta vs tors. theta energy: -8.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -77.458979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.458979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.458979 (E_RNA)
where:
Base-Base interactions energy: -29.501
where: short stacking energy: -24.272
Base-Backbone interact. energy: -0.157
local terms energy: -47.800785
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: 2.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -219.253259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.253259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.253259 (E_RNA)
where:
Base-Base interactions energy: -145.206
where: short stacking energy: -68.274
Base-Backbone interact. energy: -0.098
local terms energy: -73.949788
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -17.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -206.025722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.025722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.025722 (E_RNA)
where:
Base-Base interactions energy: -133.030
where: short stacking energy: -54.296
Base-Backbone interact. energy: -0.986
local terms energy: -72.009832
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -18.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -222.589075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.589075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.589075 (E_RNA)
where:
Base-Base interactions energy: -150.503
where: short stacking energy: -64.952
Base-Backbone interact. energy: -0.264
local terms energy: -71.821807
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -21.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -202.406324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.406324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.406324 (E_RNA)
where:
Base-Base interactions energy: -132.528
where: short stacking energy: -46.365
Base-Backbone interact. energy: -0.336
local terms energy: -69.542958
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -13.111
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: 5, replica: 8
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -198.371989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.371989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.371989 (E_RNA)
where:
Base-Base interactions energy: -135.151
where: short stacking energy: -63.282
Base-Backbone interact. energy: -0.013
local terms energy: -63.207958
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -12.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -138.199216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.199216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.199216 (E_RNA)
where:
Base-Base interactions energy: -90.403
where: short stacking energy: -33.115
Base-Backbone interact. energy: -0.629
local terms energy: -47.166909
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -4.673
tors. eta vs tors. theta energy: -5.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -91.527434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.527434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.527434 (E_RNA)
where:
Base-Base interactions energy: -33.247
where: short stacking energy: -32.317
Base-Backbone interact. energy: -1.275
local terms energy: -57.005524
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -15.126
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -7.629
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: 8, replica: 2
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -87.550257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.550257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.550257 (E_RNA)
where:
Base-Base interactions energy: -31.217
where: short stacking energy: -30.405
Base-Backbone interact. energy: -0.005
local terms energy: -56.328726
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -7.888
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: 9, replica: 9
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -86.586991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.586991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.586991 (E_RNA)
where:
Base-Base interactions energy: -31.394
where: short stacking energy: -31.394
Base-Backbone interact. energy: -0.389
local terms energy: -54.803874
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -10.498
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -87.538268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.538268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.538268 (E_RNA)
where:
Base-Base interactions energy: -30.835
where: short stacking energy: -25.270
Base-Backbone interact. energy: -0.240
local terms energy: -56.463362
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -5.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -223.992881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.992881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.992881 (E_RNA)
where:
Base-Base interactions energy: -146.041
where: short stacking energy: -69.670
Base-Backbone interact. energy: -1.525
local terms energy: -76.427048
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -19.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -219.629454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.629454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.629454 (E_RNA)
where:
Base-Base interactions energy: -145.107
where: short stacking energy: -58.795
Base-Backbone interact. energy: -0.141
local terms energy: -74.381074
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -11.597
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: 3, replica: 7
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -219.048832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.048832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.048832 (E_RNA)
where:
Base-Base interactions energy: -140.305
where: short stacking energy: -62.805
Base-Backbone interact. energy: -0.032
local terms energy: -78.712045
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -18.146
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -20.835
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: 4, replica: 3
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -215.077325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.077325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.077325 (E_RNA)
where:
Base-Base interactions energy: -148.381
where: short stacking energy: -54.937
Base-Backbone interact. energy: -0.285
local terms energy: -66.410837
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -11.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -198.311554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.311554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.311554 (E_RNA)
where:
Base-Base interactions energy: -132.648
where: short stacking energy: -58.403
Base-Backbone interact. energy: -0.021
local terms energy: -65.642507
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -15.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -139.379630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.379630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.379630 (E_RNA)
where:
Base-Base interactions energy: -85.571
where: short stacking energy: -50.791
Base-Backbone interact. energy: 0.125
local terms energy: -53.933741
where:
bonds (distance) C4'-P energy: -11.212
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -5.299
tors. eta vs tors. theta energy: -10.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -97.191656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.191656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.191656 (E_RNA)
where:
Base-Base interactions energy: -45.107
where: short stacking energy: -33.581
Base-Backbone interact. energy: -0.401
local terms energy: -51.684518
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -10.582
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -3.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -81.561046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.561046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.561046 (E_RNA)
where:
Base-Base interactions energy: -32.956
where: short stacking energy: -26.706
Base-Backbone interact. energy: -0.860
local terms energy: -47.745034
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -8.023
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -4.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -81.555385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.555385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.555385 (E_RNA)
where:
Base-Base interactions energy: -33.710
where: short stacking energy: -27.338
Base-Backbone interact. energy: -0.034
local terms energy: -47.811657
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -0.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -79.145194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.145194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.145194 (E_RNA)
where:
Base-Base interactions energy: -20.957
where: short stacking energy: -18.254
Base-Backbone interact. energy: -0.104
local terms energy: -58.084909
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -4.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -228.225037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.225037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.225037 (E_RNA)
where:
Base-Base interactions energy: -152.646
where: short stacking energy: -65.636
Base-Backbone interact. energy: -0.102
local terms energy: -75.476916
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: -20.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -224.231972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.231972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.231972 (E_RNA)
where:
Base-Base interactions energy: -143.523
where: short stacking energy: -71.858
Base-Backbone interact. energy: -0.109
local terms energy: -80.599740
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -17.403
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -22.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -230.232058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.232058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.232058 (E_RNA)
where:
Base-Base interactions energy: -156.207
where: short stacking energy: -77.686
Base-Backbone interact. energy: -0.864
local terms energy: -73.160564
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -6.410
tors. eta vs tors. theta energy: -20.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -192.596773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.596773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.596773 (E_RNA)
where:
Base-Base interactions energy: -125.140
where: short stacking energy: -52.608
Base-Backbone interact. energy: -0.605
local terms energy: -66.851799
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -12.272
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: 8
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -209.276186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.276186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.276186 (E_RNA)
where:
Base-Base interactions energy: -133.778
where: short stacking energy: -48.998
Base-Backbone interact. energy: -0.486
local terms energy: -75.012489
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -18.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -135.338675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.338675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.338675 (E_RNA)
where:
Base-Base interactions energy: -83.959
where: short stacking energy: -42.632
Base-Backbone interact. energy: -0.260
local terms energy: -51.120586
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -9.078
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -5.981
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: 4
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -88.541056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.541056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.541056 (E_RNA)
where:
Base-Base interactions energy: -49.379
where: short stacking energy: -28.147
Base-Backbone interact. energy: -0.087
local terms energy: -39.075558
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -8.466
flat angles P-C4'-P energy: -4.155
tors. eta vs tors. theta energy: 0.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -87.513688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.513688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.513688 (E_RNA)
where:
Base-Base interactions energy: -33.928
where: short stacking energy: -29.680
Base-Backbone interact. energy: 0.213
local terms energy: -53.798265
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -12.117
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -9.167
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: 6
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -80.747256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.747256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.747256 (E_RNA)
where:
Base-Base interactions energy: -28.918
where: short stacking energy: -28.918
Base-Backbone interact. energy: -0.711
local terms energy: -51.117838
where:
bonds (distance) C4'-P energy: -10.378
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -7.344
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: 2
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -78.711793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.711793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.711793 (E_RNA)
where:
Base-Base interactions energy: -29.064
where: short stacking energy: -29.064
Base-Backbone interact. energy: -0.923
local terms energy: -48.724462
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -2.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -221.893950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.893950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.893950 (E_RNA)
where:
Base-Base interactions energy: -148.996
where: short stacking energy: -61.046
Base-Backbone interact. energy: -0.450
local terms energy: -72.448157
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -17.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -216.760139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.760139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.760139 (E_RNA)
where:
Base-Base interactions energy: -138.733
where: short stacking energy: -65.011
Base-Backbone interact. energy: 0.188
local terms energy: -78.215041
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -21.488
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: 1
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -220.247025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.247025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.247025 (E_RNA)
where:
Base-Base interactions energy: -148.351
where: short stacking energy: -71.635
Base-Backbone interact. energy: -0.011
local terms energy: -71.885422
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -19.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -201.585857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.585857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.585857 (E_RNA)
where:
Base-Base interactions energy: -133.664
where: short stacking energy: -48.845
Base-Backbone interact. energy: -0.474
local terms energy: -67.447745
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -10.620
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -15.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -186.051049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.051049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.051049 (E_RNA)
where:
Base-Base interactions energy: -120.049
where: short stacking energy: -55.575
Base-Backbone interact. energy: -0.314
local terms energy: -65.687405
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -13.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -153.586840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.586840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.586840 (E_RNA)
where:
Base-Base interactions energy: -90.935
where: short stacking energy: -42.506
Base-Backbone interact. energy: -0.003
local terms energy: -62.648835
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -10.962
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: 4
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -85.524684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.524684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.524684 (E_RNA)
where:
Base-Base interactions energy: -28.801
where: short stacking energy: -26.608
Base-Backbone interact. energy: -0.159
local terms energy: -56.565131
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -9.615
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: 8, replica: 6
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -97.182501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.182501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.182501 (E_RNA)
where:
Base-Base interactions energy: -45.856
where: short stacking energy: -42.627
Base-Backbone interact. energy: 0.430
local terms energy: -51.756361
where:
bonds (distance) C4'-P energy: -9.454
bonds (distance) P-C4' energy: -7.922
flat angles C4'-P-C4' energy: -10.515
flat angles P-C4'-P energy: -14.411
tors. eta vs tors. theta energy: -9.456
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: 9
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -91.964205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.964205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.964205 (E_RNA)
where:
Base-Base interactions energy: -40.401
where: short stacking energy: -23.278
Base-Backbone interact. energy: -0.130
local terms energy: -51.433228
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -8.350
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -0.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -74.001216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.001216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.001216 (E_RNA)
where:
Base-Base interactions energy: -32.186
where: short stacking energy: -31.926
Base-Backbone interact. energy: -0.040
local terms energy: -41.775992
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -6.738
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -0.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -221.083738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.083738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.083738 (E_RNA)
where:
Base-Base interactions energy: -142.752
where: short stacking energy: -64.769
Base-Backbone interact. energy: -0.209
local terms energy: -78.123081
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -11.174
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: 2, replica: 5
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -218.506378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.506378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.506378 (E_RNA)
where:
Base-Base interactions energy: -148.175
where: short stacking energy: -60.709
Base-Backbone interact. energy: -0.481
local terms energy: -69.850305
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -13.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -215.106359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.106359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.106359 (E_RNA)
where:
Base-Base interactions energy: -141.709
where: short stacking energy: -64.328
Base-Backbone interact. energy: -0.007
local terms energy: -73.390597
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -18.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -210.318034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.318034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.318034 (E_RNA)
where:
Base-Base interactions energy: -145.132
where: short stacking energy: -56.773
Base-Backbone interact. energy: 1.558
local terms energy: -66.743663
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -16.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -165.949495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.949495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.949495 (E_RNA)
where:
Base-Base interactions energy: -98.950
where: short stacking energy: -61.394
Base-Backbone interact. energy: -0.552
local terms energy: -66.447615
where:
bonds (distance) C4'-P energy: -7.112
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -18.555
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -17.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -194.038080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.038080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.038080 (E_RNA)
where:
Base-Base interactions energy: -133.920
where: short stacking energy: -44.864
Base-Backbone interact. energy: -0.752
local terms energy: -59.365728
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -10.663
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -8.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -85.407759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.407759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.407759 (E_RNA)
where:
Base-Base interactions energy: -26.211
where: short stacking energy: -26.211
Base-Backbone interact. energy: -0.089
local terms energy: -59.106847
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -4.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -86.783940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.783940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.783940 (E_RNA)
where:
Base-Base interactions energy: -35.089
where: short stacking energy: -35.089
Base-Backbone interact. energy: -0.065
local terms energy: -51.629977
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -5.922
tors. eta vs tors. theta energy: -2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -80.747869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.747869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.747869 (E_RNA)
where:
Base-Base interactions energy: -34.141
where: short stacking energy: -26.678
Base-Backbone interact. energy: -0.071
local terms energy: -46.536081
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -10.415
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -4.247
tors. eta vs tors. theta energy: -8.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -72.341589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.341589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.341589 (E_RNA)
where:
Base-Base interactions energy: -18.732
where: short stacking energy: -18.732
Base-Backbone interact. energy: -0.111
local terms energy: -53.498720
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -16.923
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: 0.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -226.347186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.347186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.347186 (E_RNA)
where:
Base-Base interactions energy: -148.642
where: short stacking energy: -73.093
Base-Backbone interact. energy: -0.685
local terms energy: -77.020214
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -21.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -224.828049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.828049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.828049 (E_RNA)
where:
Base-Base interactions energy: -144.405
where: short stacking energy: -67.228
Base-Backbone interact. energy: -0.078
local terms energy: -80.344643
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -22.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -220.430355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.430355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.430355 (E_RNA)
where:
Base-Base interactions energy: -144.393
where: short stacking energy: -71.634
Base-Backbone interact. energy: -0.169
local terms energy: -75.868171
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -20.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -175.742367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.742367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.742367 (E_RNA)
where:
Base-Base interactions energy: -109.156
where: short stacking energy: -47.536
Base-Backbone interact. energy: -0.757
local terms energy: -65.829232
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -11.572
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -15.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -205.631843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.631843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.631843 (E_RNA)
where:
Base-Base interactions energy: -131.614
where: short stacking energy: -50.234
Base-Backbone interact. energy: -0.789
local terms energy: -73.228505
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -14.820
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -16.837
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: 3
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -156.325909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.325909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.325909 (E_RNA)
where:
Base-Base interactions energy: -90.493
where: short stacking energy: -38.874
Base-Backbone interact. energy: -0.510
local terms energy: -65.323314
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -8.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -99.469222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.469222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.469222 (E_RNA)
where:
Base-Base interactions energy: -47.522
where: short stacking energy: -38.877
Base-Backbone interact. energy: -0.187
local terms energy: -51.760255
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -8.198
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: 8, replica: 2
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -84.012538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.012538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.012538 (E_RNA)
where:
Base-Base interactions energy: -27.036
where: short stacking energy: -25.893
Base-Backbone interact. energy: -0.080
local terms energy: -56.896803
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -11.798
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -4.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -82.919161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.919161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.919161 (E_RNA)
where:
Base-Base interactions energy: -27.784
where: short stacking energy: -26.237
Base-Backbone interact. energy: 0.821
local terms energy: -55.956700
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -5.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -70.239210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.239210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.239210 (E_RNA)
where:
Base-Base interactions energy: -28.186
where: short stacking energy: -21.762
Base-Backbone interact. energy: -0.841
local terms energy: -41.212739
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -5.528
flat angles P-C4'-P energy: -4.024
tors. eta vs tors. theta energy: -0.662
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: 8
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -216.781818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.781818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.781818 (E_RNA)
where:
Base-Base interactions energy: -139.461
where: short stacking energy: -63.015
Base-Backbone interact. energy: -0.026
local terms energy: -77.294746
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -11.857
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: 2, replica: 7
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -228.774095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.774095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.774095 (E_RNA)
where:
Base-Base interactions energy: -143.035
where: short stacking energy: -66.880
Base-Backbone interact. energy: -0.507
local terms energy: -85.232383
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -24.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -222.011068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.011068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.011068 (E_RNA)
where:
Base-Base interactions energy: -144.360
where: short stacking energy: -69.752
Base-Backbone interact. energy: -0.399
local terms energy: -77.252228
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -19.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -196.856785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.856785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.856785 (E_RNA)
where:
Base-Base interactions energy: -122.978
where: short stacking energy: -68.267
Base-Backbone interact. energy: -0.016
local terms energy: -73.863251
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -11.632
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -20.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -203.254330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.254330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.254330 (E_RNA)
where:
Base-Base interactions energy: -129.416
where: short stacking energy: -56.961
Base-Backbone interact. energy: -1.315
local terms energy: -72.523537
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -13.407
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -18.058
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: 6, replica: 3
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -166.313656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.313656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.313656 (E_RNA)
where:
Base-Base interactions energy: -101.864
where: short stacking energy: -48.420
Base-Backbone interact. energy: -0.117
local terms energy: -64.332733
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -8.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -106.593025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.593025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.593025 (E_RNA)
where:
Base-Base interactions energy: -40.877
where: short stacking energy: -34.665
Base-Backbone interact. energy: -0.057
local terms energy: -65.659039
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -9.647
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: 8, replica: 2
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -85.686907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.686907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.686907 (E_RNA)
where:
Base-Base interactions energy: -38.229
where: short stacking energy: -20.426
Base-Backbone interact. energy: -0.057
local terms energy: -47.400713
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -6.907
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -9.842
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: 9, replica: 9
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -80.488581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.488581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.488581 (E_RNA)
where:
Base-Base interactions energy: -33.571
where: short stacking energy: -30.247
Base-Backbone interact. energy: -0.679
local terms energy: -46.239360
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -13.953
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -4.113
tors. eta vs tors. theta energy: -4.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -77.111383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.111383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.111383 (E_RNA)
where:
Base-Base interactions energy: -29.421
where: short stacking energy: -27.619
Base-Backbone interact. energy: -0.683
local terms energy: -47.006890
where:
bonds (distance) C4'-P energy: -10.124
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -4.503
tors. eta vs tors. theta energy: -2.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -215.292755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.292755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.292755 (E_RNA)
where:
Base-Base interactions energy: -142.277
where: short stacking energy: -64.611
Base-Backbone interact. energy: 0.304
local terms energy: -73.320211
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -20.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -224.593020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.593020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.593020 (E_RNA)
where:
Base-Base interactions energy: -150.493
where: short stacking energy: -68.094
Base-Backbone interact. energy: -1.166
local terms energy: -72.933955
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -7.321
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: 7
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -219.139264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.139264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.139264 (E_RNA)
where:
Base-Base interactions energy: -144.550
where: short stacking energy: -60.477
Base-Backbone interact. energy: -0.783
local terms energy: -73.806425
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -18.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -210.167733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.167733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.167733 (E_RNA)
where:
Base-Base interactions energy: -144.163
where: short stacking energy: -62.704
Base-Backbone interact. energy: 0.840
local terms energy: -66.844458
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -15.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -182.391994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.391994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.391994 (E_RNA)
where:
Base-Base interactions energy: -112.910
where: short stacking energy: -54.942
Base-Backbone interact. energy: -0.009
local terms energy: -69.472960
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -15.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -159.982352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.982352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.982352 (E_RNA)
where:
Base-Base interactions energy: -96.327
where: short stacking energy: -52.847
Base-Backbone interact. energy: -0.386
local terms energy: -63.269127
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -14.097
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: 6
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -86.701148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.701148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.701148 (E_RNA)
where:
Base-Base interactions energy: -35.429
where: short stacking energy: -30.693
Base-Backbone interact. energy: -0.221
local terms energy: -51.051846
where:
bonds (distance) C4'-P energy: -8.203
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -7.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -90.094531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.094531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.094531 (E_RNA)
where:
Base-Base interactions energy: -33.907
where: short stacking energy: -33.907
Base-Backbone interact. energy: 1.361
local terms energy: -57.548363
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -4.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -78.505728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.505728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.505728 (E_RNA)
where:
Base-Base interactions energy: -33.675
where: short stacking energy: -33.675
Base-Backbone interact. energy: -0.133
local terms energy: -44.697810
where:
bonds (distance) C4'-P energy: -8.878
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -6.310
tors. eta vs tors. theta energy: -2.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -82.744872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.744872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.744872 (E_RNA)
where:
Base-Base interactions energy: -30.218
where: short stacking energy: -29.144
Base-Backbone interact. energy: -0.268
local terms energy: -52.259353
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -3.620
tors. eta vs tors. theta energy: -3.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -219.829506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.829506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.829506 (E_RNA)
where:
Base-Base interactions energy: -143.985
where: short stacking energy: -62.056
Base-Backbone interact. energy: -1.218
local terms energy: -74.627036
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -10.509
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -19.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -210.480969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.480969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.480969 (E_RNA)
where:
Base-Base interactions energy: -135.783
where: short stacking energy: -56.585
Base-Backbone interact. energy: -0.005
local terms energy: -74.692903
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -19.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -215.872493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.872493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.872493 (E_RNA)
where:
Base-Base interactions energy: -138.404
where: short stacking energy: -65.650
Base-Backbone interact. energy: -1.410
local terms energy: -76.058412
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -22.597
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: 1
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -201.035166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.035166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.035166 (E_RNA)
where:
Base-Base interactions energy: -134.267
where: short stacking energy: -62.784
Base-Backbone interact. energy: -0.078
local terms energy: -66.690672
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -15.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -138.936003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.936003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.936003 (E_RNA)
where:
Base-Base interactions energy: -84.914
where: short stacking energy: -31.169
Base-Backbone interact. energy: -0.496
local terms energy: -53.526297
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -0.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -171.381375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.381375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.381375 (E_RNA)
where:
Base-Base interactions energy: -106.208
where: short stacking energy: -50.472
Base-Backbone interact. energy: -0.005
local terms energy: -65.168745
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -4.335
tors. eta vs tors. theta energy: -15.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -86.048981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.048981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.048981 (E_RNA)
where:
Base-Base interactions energy: -31.354
where: short stacking energy: -24.152
Base-Backbone interact. energy: -0.210
local terms energy: -54.485297
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -7.795
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: 8, replica: 6
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -94.840704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.840704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.840704 (E_RNA)
where:
Base-Base interactions energy: -33.797
where: short stacking energy: -33.716
Base-Backbone interact. energy: -0.231
local terms energy: -60.812968
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -8.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -78.726762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.726762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.726762 (E_RNA)
where:
Base-Base interactions energy: -26.767
where: short stacking energy: -26.767
Base-Backbone interact. energy: -0.397
local terms energy: -51.561972
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -9.686
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -1.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -79.714495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.714495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.714495 (E_RNA)
where:
Base-Base interactions energy: -23.233
where: short stacking energy: -22.396
Base-Backbone interact. energy: -0.253
local terms energy: -56.228131
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -1.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -216.146815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.146815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.146815 (E_RNA)
where:
Base-Base interactions energy: -146.263
where: short stacking energy: -56.754
Base-Backbone interact. energy: -1.038
local terms energy: -68.845396
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -15.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -221.306765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.306765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.306765 (E_RNA)
where:
Base-Base interactions energy: -141.767
where: short stacking energy: -68.053
Base-Backbone interact. energy: -0.062
local terms energy: -79.477864
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -21.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -196.153004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.153004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.153004 (E_RNA)
where:
Base-Base interactions energy: -135.454
where: short stacking energy: -49.540
Base-Backbone interact. energy: -1.535
local terms energy: -59.164821
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -11.554
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -14.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -152.373862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.373862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.373862 (E_RNA)
where:
Base-Base interactions energy: -99.711
where: short stacking energy: -44.743
Base-Backbone interact. energy: -0.098
local terms energy: -52.564812
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -11.061
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -6.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -183.504096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.504096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.504096 (E_RNA)
where:
Base-Base interactions energy: -115.272
where: short stacking energy: -52.712
Base-Backbone interact. energy: -0.961
local terms energy: -67.271033
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: -17.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -159.846572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.846572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.846572 (E_RNA)
where:
Base-Base interactions energy: -89.441
where: short stacking energy: -30.357
Base-Backbone interact. energy: -1.079
local terms energy: -69.326270
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -16.860
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -8.789
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: 9
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -89.038971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.038971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.038971 (E_RNA)
where:
Base-Base interactions energy: -38.797
where: short stacking energy: -33.904
Base-Backbone interact. energy: -0.594
local terms energy: -49.648293
where:
bonds (distance) C4'-P energy: -8.937
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -10.401
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -5.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -74.107325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.107325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.107325 (E_RNA)
where:
Base-Base interactions energy: -20.942
where: short stacking energy: -19.914
Base-Backbone interact. energy: -0.150
local terms energy: -53.015300
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -3.326
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: 497
Temperature: 1.300000
Total energy: -83.923524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.923524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.923524 (E_RNA)
where:
Base-Base interactions energy: -30.138
where: short stacking energy: -27.411
Base-Backbone interact. energy: -1.363
local terms energy: -52.422302
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -10.939
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -0.210
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: 10, replica: 2
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -83.339394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.339394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.339394 (E_RNA)
where:
Base-Base interactions energy: -31.065
where: short stacking energy: -30.997
Base-Backbone interact. energy: -0.159
local terms energy: -52.115010
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -4.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -224.750387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.750387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.750387 (E_RNA)
where:
Base-Base interactions energy: -152.782
where: short stacking energy: -57.596
Base-Backbone interact. energy: -2.322
local terms energy: -69.646320
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -15.996
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: 7
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -219.242860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.242860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.242860 (E_RNA)
where:
Base-Base interactions energy: -143.685
where: short stacking energy: -64.321
Base-Backbone interact. energy: -0.010
local terms energy: -75.547373
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -20.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -205.891942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.891942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.891942 (E_RNA)
where:
Base-Base interactions energy: -140.919
where: short stacking energy: -58.917
Base-Backbone interact. energy: -0.511
local terms energy: -64.462049
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -14.752
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: 498
Temperature: 1.050000
Total energy: -162.157852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.157852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.157852 (E_RNA)
where:
Base-Base interactions energy: -103.633
where: short stacking energy: -41.740
Base-Backbone interact. energy: -0.586
local terms energy: -57.938434
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -6.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -204.875336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.875336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.875336 (E_RNA)
where:
Base-Base interactions energy: -130.632
where: short stacking energy: -55.245
Base-Backbone interact. energy: -0.699
local terms energy: -73.544884
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -18.020
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: 10
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -151.298935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.298935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.298935 (E_RNA)
where:
Base-Base interactions energy: -86.652
where: short stacking energy: -39.522
Base-Backbone interact. energy: -0.372
local terms energy: -64.275178
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -9.369
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -12.430
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: 4
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -93.736176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.736176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.736176 (E_RNA)
where:
Base-Base interactions energy: -37.424
where: short stacking energy: -34.739
Base-Backbone interact. energy: -0.183
local terms energy: -56.128825
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -12.643
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -5.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -86.227986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.227986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.227986 (E_RNA)
where:
Base-Base interactions energy: -41.976
where: short stacking energy: -26.407
Base-Backbone interact. energy: -0.119
local terms energy: -44.132444
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -10.493
flat angles C4'-P-C4' energy: -8.360
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -94.333304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.333304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.333304 (E_RNA)
where:
Base-Base interactions energy: -45.771
where: short stacking energy: -19.530
Base-Backbone interact. energy: -0.393
local terms energy: -48.169577
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -6.408
tors. eta vs tors. theta energy: -2.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -71.406920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.406920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.406920 (E_RNA)
where:
Base-Base interactions energy: -27.849
where: short stacking energy: -27.586
Base-Backbone interact. energy: -0.284
local terms energy: -43.273929
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -11.830
flat angles C4'-P-C4' energy: -10.320
flat angles P-C4'-P energy: -3.763
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: 1, replica: 5
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -227.561568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.561568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.561568 (E_RNA)
where:
Base-Base interactions energy: -152.389
where: short stacking energy: -59.958
Base-Backbone interact. energy: -0.944
local terms energy: -74.228301
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -15.217
tors. eta vs tors. theta energy: -16.636
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: 8
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -227.636858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.636858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.636858 (E_RNA)
where:
Base-Base interactions energy: -153.267
where: short stacking energy: -64.395
Base-Backbone interact. energy: -0.119
local terms energy: -74.250745
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -9.705
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: 7
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -217.317077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.317077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.317077 (E_RNA)
where:
Base-Base interactions energy: -146.640
where: short stacking energy: -71.124
Base-Backbone interact. energy: -1.168
local terms energy: -69.508593
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -19.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -203.299192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.299192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.299192 (E_RNA)
where:
Base-Base interactions energy: -138.603
where: short stacking energy: -50.980
Base-Backbone interact. energy: -0.070
local terms energy: -64.626926
where:
bonds (distance) C4'-P energy: -10.473
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -15.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -163.412797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.412797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.412797 (E_RNA)
where:
Base-Base interactions energy: -100.820
where: short stacking energy: -46.994
Base-Backbone interact. energy: -0.121
local terms energy: -62.471959
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -10.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -165.367213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.367213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.367213 (E_RNA)
where:
Base-Base interactions energy: -100.041
where: short stacking energy: -54.145
Base-Backbone interact. energy: -0.002
local terms energy: -65.323766
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -11.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -99.962862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.962862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.962862 (E_RNA)
where:
Base-Base interactions energy: -46.517
where: short stacking energy: -29.219
Base-Backbone interact. energy: -0.093
local terms energy: -53.352760
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -9.804
flat angles P-C4'-P energy: -10.344
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: 8, replica: 2
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -101.958916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.958916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.958916 (E_RNA)
where:
Base-Base interactions energy: -53.656
where: short stacking energy: -23.610
Base-Backbone interact. energy: -0.306
local terms energy: -47.996956
where:
bonds (distance) C4'-P energy: -8.935
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -1.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -82.959409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.959409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.959409 (E_RNA)
where:
Base-Base interactions energy: -22.344
where: short stacking energy: -22.344
Base-Backbone interact. energy: -0.092
local terms energy: -60.523123
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -12.140
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: 10, replica: 6
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -78.709870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.709870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.709870 (E_RNA)
where:
Base-Base interactions energy: -30.246
where: short stacking energy: -22.320
Base-Backbone interact. energy: -0.041
local terms energy: -48.422863
where:
bonds (distance) C4'-P energy: -8.680
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -10.298
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: 5
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -226.115119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.115119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.115119 (E_RNA)
where:
Base-Base interactions energy: -149.730
where: short stacking energy: -59.131
Base-Backbone interact. energy: -0.120
local terms energy: -76.265311
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -16.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -223.432103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.432103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.432103 (E_RNA)
where:
Base-Base interactions energy: -140.295
where: short stacking energy: -68.089
Base-Backbone interact. energy: -1.354
local terms energy: -81.782769
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -14.575
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: 3, replica: 1
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -206.510389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.510389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.510389 (E_RNA)
where:
Base-Base interactions energy: -140.099
where: short stacking energy: -56.186
Base-Backbone interact. energy: -0.706
local terms energy: -65.705576
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -17.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -209.871932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.871932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.871932 (E_RNA)
where:
Base-Base interactions energy: -143.311
where: short stacking energy: -63.154
Base-Backbone interact. energy: -0.241
local terms energy: -66.319885
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -3.818
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: 5, replica: 3
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -159.059468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.059468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.059468 (E_RNA)
where:
Base-Base interactions energy: -94.236
where: short stacking energy: -46.991
Base-Backbone interact. energy: -0.073
local terms energy: -64.749932
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -12.891
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -13.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -147.603806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.603806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.603806 (E_RNA)
where:
Base-Base interactions energy: -87.998
where: short stacking energy: -48.339
Base-Backbone interact. energy: -0.122
local terms energy: -59.483913
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -12.526
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: 7, replica: 2
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -106.591089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.591089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.591089 (E_RNA)
where:
Base-Base interactions energy: -68.045
where: short stacking energy: -23.714
Base-Backbone interact. energy: -0.321
local terms energy: -38.225002
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -4.037
flat angles P-C4'-P energy: -5.278
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: 8, replica: 4
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -98.798495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.798495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.798495 (E_RNA)
where:
Base-Base interactions energy: -49.197
where: short stacking energy: -24.317
Base-Backbone interact. energy: -1.304
local terms energy: -48.298108
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -10.179
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: 9, replica: 9
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -75.652614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.652614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.652614 (E_RNA)
where:
Base-Base interactions energy: -28.267
where: short stacking energy: -21.049
Base-Backbone interact. energy: -1.013
local terms energy: -46.372990
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -12.379
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -1.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -69.059397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.059397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.059397 (E_RNA)
where:
Base-Base interactions energy: -24.269
where: short stacking energy: -23.395
Base-Backbone interact. energy: -0.268
local terms energy: -44.522359
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: 3.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -227.063946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.063946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.063946 (E_RNA)
where:
Base-Base interactions energy: -155.594
where: short stacking energy: -53.715
Base-Backbone interact. energy: -0.115
local terms energy: -71.355209
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -9.439
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: 2, replica: 1
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -211.440927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.440927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.440927 (E_RNA)
where:
Base-Base interactions energy: -140.994
where: short stacking energy: -62.465
Base-Backbone interact. energy: -0.123
local terms energy: -70.324093
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -12.027
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -20.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -216.304992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.304992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.304992 (E_RNA)
where:
Base-Base interactions energy: -141.473
where: short stacking energy: -65.570
Base-Backbone interact. energy: -0.902
local terms energy: -73.930082
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -17.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -210.786979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.786979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.786979 (E_RNA)
where:
Base-Base interactions energy: -138.257
where: short stacking energy: -60.128
Base-Backbone interact. energy: -0.145
local terms energy: -72.385344
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -21.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -160.541694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.541694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.541694 (E_RNA)
where:
Base-Base interactions energy: -102.419
where: short stacking energy: -55.768
Base-Backbone interact. energy: -0.338
local terms energy: -57.784346
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -10.793
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -11.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -165.806550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.806550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.806550 (E_RNA)
where:
Base-Base interactions energy: -91.985
where: short stacking energy: -55.436
Base-Backbone interact. energy: -0.041
local terms energy: -73.780290
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -13.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -94.035373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.035373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.035373 (E_RNA)
where:
Base-Base interactions energy: -45.206
where: short stacking energy: -28.545
Base-Backbone interact. energy: -1.529
local terms energy: -47.300834
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -1.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -77.167687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.167687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.167687 (E_RNA)
where:
Base-Base interactions energy: -27.666
where: short stacking energy: -18.006
Base-Backbone interact. energy: -0.199
local terms energy: -49.302698
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -2.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -84.556256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.556256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.556256 (E_RNA)
where:
Base-Base interactions energy: -26.955
where: short stacking energy: -26.955
Base-Backbone interact. energy: -0.319
local terms energy: -57.282545
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -12.441
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: 6
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -76.199629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.199629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.199629 (E_RNA)
where:
Base-Base interactions energy: -29.678
where: short stacking energy: -22.915
Base-Backbone interact. energy: -0.130
local terms energy: -46.391887
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -13.428
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: 3.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 5 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 17765529
moves confirmed later: 20974621
all moves confirmed: 38740150
percent of confirmed moves: 4.842519
current total energy: -188.291657
recalc. total energy: -188.291657
replica 1 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 13181595
moves confirmed later: 15011454
all moves confirmed: 28193049
percent of confirmed moves: 3.524131
current total energy: -162.058592
recalc. total energy: -162.058592
replica 7 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 13213645
moves confirmed later: 15079968
all moves confirmed: 28293613
percent of confirmed moves: 3.536702
current total energy: -173.253666
recalc. total energy: -173.253666
replica 8 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 20955815
moves confirmed later: 25234895
all moves confirmed: 46190710
percent of confirmed moves: 5.773839
current total energy: -177.574539
recalc. total energy: -177.574539
replica 3 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 18768131
moves confirmed later: 22233882
all moves confirmed: 41002013
percent of confirmed moves: 5.125252
current total energy: -106.200994
recalc. total energy: -106.200994
replica 10 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 20854441
moves confirmed later: 25019196
all moves confirmed: 45873637
percent of confirmed moves: 5.734205
current total energy: -99.443458
recalc. total energy: -99.443458
replica 9 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 24573405
moves confirmed later: 30035749
all moves confirmed: 54609154
percent of confirmed moves: 6.826144
current total energy: -50.196700
recalc. total energy: -50.196700
replica 2 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 20768730
moves confirmed later: 24868625
all moves confirmed: 45637355
percent of confirmed moves: 5.704669
current total energy: -69.345809
recalc. total energy: -69.345809
replica 6 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 19559301
moves confirmed later: 23257233
all moves confirmed: 42816534
percent of confirmed moves: 5.352067
current total energy: -26.942886
recalc. total energy: -26.942886
replica 4 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 18141384
moves confirmed later: 21367436
all moves confirmed: 39508820
percent of confirmed moves: 4.938603
current total energy: -21.027895
recalc. total energy: -21.027895
out arg RESULTS//1/Kfdv-7ce465b4_01
Time of doing 8000000 iterations: 2984.360 seconds